magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane

C302H442F12I2MgN59NaO78S8 — CID 167711160

IUPACmagnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)OC(C)=O.CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H]([C@@H](CF)N(Cc3ccccc3)C(=O)OCc3ccccc3)CC[C@H]2N=[N+]=[N-])[C@@H](N=[N+]=[N-])C[C@H]1N=[N+]=[N-].CC(C)(C)[S@@](=O)N(Cc1ccccc1)[C@H](CF)[C@@H]1CCC=CO1.CC(C)(C)[S@@](=O)N=C[C@@H]1CCC=CO1.CC(C)(C)[S@@](=O)N[C@@H]([C@@H]1CCC=CO1)[C@@H](F)S(=O)(=O)c1ccccc1.CC(C)(C)[S@@](=O)N[C@@H]([C@@H]1CCC=CO1)[C@H](F)S(=O)(=O)c1ccccc1.CC(C)(C)[S@@](=O)N[C@H](CF)[C@@H]1CCC=CO1.CC[C@H]1OC(O)[C@H](OC(C)=O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H]([C@H](N)CF)CC[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=C(OCc1ccccc1)N(Cc1ccccc1)[C@H](CF)[C@@H]1CCC(I)C(O)O1.O=C1O[C@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)CCC1I.O=S(=O)(CF)c1ccccc1.[H-].[H-].[H-].[Mg+2].[N-]=[N+]=NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]3O[C@H]3O[C@H]([C@@H](CF)N(Cc4ccccc4)C(=O)OCc4ccccc4)CC[C@H]3N=[N+]=[N-])O[C@@H]2CO)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O.[N-]=[N+]=N[C@@H]1CC[C@@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)OC1O.[N-]=[N+]=N[C@H]1C[C@@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)CC[C@H]1N=[N+]=[N-].[Na+]
InChIInChI=1S/C39H49FN16O13.C30H35FN10O7.C28H33FN10O6.C24H47FN6O11.C22H25FINO4.C22H23FINO4.C22H25FN4O4.C18H26FNO2S.C18H26N6O10.2C17H24FNO4S2.C11H20FNO2S.C10H17NO2S.C7H7FO2S.C4H6O3.13CH4.Mg.Na.3H/c40-14-24(56(16-19-7-3-1-4-8-19)39(62)63-18-20-9-5-2-6-10-20)25-12-11-21(47-52-42)36(64-25)67-33-23(49-54-44)13-22(48-53-43)29(58)35(33)69-38-32(61)34(27(17-57)66-38)68-37-28(50-55-45)31(60)30(59)26(65-37)15-46-51-41;1-18(42)46-27-22(36-39-33)14-23(37-40-34)28(26(27)43)48-29-21(35-38-32)12-13-25(47-29)24(15-31)41(16-19-8-4-2-5-9-19)30(44)45-17-20-10-6-3-7-11-20;29-14-22(39(15-17-7-3-1-4-8-17)28(42)43-16-18-9-5-2-6-10-18)23-12-11-19(33-36-30)27(44-23)45-26-21(35-38-32)13-20(34-37-31)24(40)25(26)41;25-4-10(30)11-2-1-7(27)22(37-11)40-19-9(29)3-8(28)15(33)21(19)42-24-18(36)20(13(6-32)39-24)41-23-14(31)17(35)16(34)12(5-26)38-23;2*23-13-19(20-12-11-18(24)21(26)29-20)25(14-16-7-3-1-4-8-16)22(27)28-15-17-9-5-2-6-10-17;23-13-19(20-12-11-18(25-26-24)21(28)31-20)27(14-16-7-3-1-4-8-16)22(29)30-15-17-9-5-2-6-10-17;1-18(2,3)23(21)20(14-15-9-5-4-6-10-15)16(13-19)17-11-7-8-12-22-17;1-5-10-13(16(17(28)32-10)31-9(4)27)34-18-12(22-24-20)15(30-8(3)26)14(29-7(2)25)11(33-18)6-21-23-19;2*1-17(2,3)24(20)19-15(14-11-7-8-12-23-14)16(18)25(21,22)13-9-5-4-6-10-13;1-11(2,3)16(14)13-9(8-12)10-6-4-5-7-15-10;1-10(2,3)14(12)11-8-9-6-4-5-7-13-9;8-6-11(9,10)7-4-2-1-3-5-7;1-3(5)7-4(2)6;;;;;;;;;;;;;;;;;;/h1-10,21-38,57-61H,11-18H2;2-11,21-29,43H,12-17H2,1H3;1-10,19-27,40-41H,11-16H2;7-24,32-36H,1-6,26-31H2;1-10,18-21,26H,11-15H2;1-10,18-20H,11-15H2;1-10,18-21,28H,11-15H2;4-6,8-10,12,16-17H,7,11,13-14H2,1-3H3;10-18,28H,5-6H2,1-4H3;2*4-6,8-10,12,14-16,19H,7,11H2,1-3H3;5,7,9-10,13H,4,6,8H2,1-3H3;5,7-9H,4,6H2,1-3H3;1-5H,6H2;1-2H3;13*1H4;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2;+1;3*-1/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+;21-,22-,23+,24-,25+,26-,27+,28-,29-;19-,20-,21+,22-,23+,24+,25-,26-,27-;7-,8-,9+,10-,11+,12+,13-,14-,15+,16-,17-,18-,19-,20-,21-,22-,23-,24+;18?,19-,20+,21?;18?,19-,20+;18-,19-,20+,21?;16-,17+,23-;10-,11+,12-,13-,14-,15-,16-,17?,18-;14-,15-,16+,24+;14-,15-,16-,24+;9-,10+,16-;9-,14+;;;;;;;;;;;;;;;;;;;;/m1111111110010..................../s1
InChIKeyVNBHOCKCJMGKGA-CPWGKIRZSA-N
MW6932.81 g/mol
LogP43.84
Rot. Bonds112

About magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane

magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane (PubChem CID 167711160) has the molecular formula C302H442F12I2MgN59NaO78S8 and a molecular weight of 6932.81 g/mol. Its IUPAC name is magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane.

Molecular Properties

Compound Namemagnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane
PubChem CID167711160
Molecular FormulaC302H442F12I2MgN59NaO78S8
Molecular Weight6932.81 g/mol
Exact Mass6927.78
IUPAC Namemagnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)OC(C)=O.CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H]([C@@H](CF)N(Cc3ccccc3)C(=O)OCc3ccccc3)CC[C@H]2N=[N+]=[N-])[C@@H](N=[N+]=[N-])C[C@H]1N=[N+]=[N-].CC(C)(C)[S@@](=O)N(Cc1ccccc1)[C@H](CF)[C@@H]1CCC=CO1.CC(C)(C)[S@@](=O)N=C[C@@H]1CCC=CO1.CC(C)(C)[S@@](=O)N[C@@H]([C@@H]1CCC=CO1)[C@@H](F)S(=O)(=O)c1ccccc1.CC(C)(C)[S@@](=O)N[C@@H]([C@@H]1CCC=CO1)[C@H](F)S(=O)(=O)c1ccccc1.CC(C)(C)[S@@](=O)N[C@H](CF)[C@@H]1CCC=CO1.CC[C@H]1OC(O)[C@H](OC(C)=O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H]([C@H](N)CF)CC[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=C(OCc1ccccc1)N(Cc1ccccc1)[C@H](CF)[C@@H]1CCC(I)C(O)O1.O=C1O[C@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)CCC1I.O=S(=O)(CF)c1ccccc1.[H-].[H-].[H-].[Mg+2].[N-]=[N+]=NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]3O[C@H]3O[C@H]([C@@H](CF)N(Cc4ccccc4)C(=O)OCc4ccccc4)CC[C@H]3N=[N+]=[N-])O[C@@H]2CO)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O.[N-]=[N+]=N[C@@H]1CC[C@@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)OC1O.[N-]=[N+]=N[C@H]1C[C@@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)CC[C@H]1N=[N+]=[N-].[Na+]
InChIInChI=1S/C39H49FN16O13.C30H35FN10O7.C28H33FN10O6.C24H47FN6O11.C22H25FINO4.C22H23FINO4.C22H25FN4O4.C18H26FNO2S.C18H26N6O10.2C17H24FNO4S2.C11H20FNO2S.C10H17NO2S.C7H7FO2S.C4H6O3.13CH4.Mg.Na.3H/c40-14-24(56(16-19-7-3-1-4-8-19)39(62)63-18-20-9-5-2-6-10-20)25-12-11-21(47-52-42)36(64-25)67-33-23(49-54-44)13-22(48-53-43)29(58)35(33)69-38-32(61)34(27(17-57)66-38)68-37-28(50-55-45)31(60)30(59)26(65-37)15-46-51-41;1-18(42)46-27-22(36-39-33)14-23(37-40-34)28(26(27)43)48-29-21(35-38-32)12-13-25(47-29)24(15-31)41(16-19-8-4-2-5-9-19)30(44)45-17-20-10-6-3-7-11-20;29-14-22(39(15-17-7-3-1-4-8-17)28(42)43-16-18-9-5-2-6-10-18)23-12-11-19(33-36-30)27(44-23)45-26-21(35-38-32)13-20(34-37-31)24(40)25(26)41;25-4-10(30)11-2-1-7(27)22(37-11)40-19-9(29)3-8(28)15(33)21(19)42-24-18(36)20(13(6-32)39-24)41-23-14(31)17(35)16(34)12(5-26)38-23;2*23-13-19(20-12-11-18(24)21(26)29-20)25(14-16-7-3-1-4-8-16)22(27)28-15-17-9-5-2-6-10-17;23-13-19(20-12-11-18(25-26-24)21(28)31-20)27(14-16-7-3-1-4-8-16)22(29)30-15-17-9-5-2-6-10-17;1-18(2,3)23(21)20(14-15-9-5-4-6-10-15)16(13-19)17-11-7-8-12-22-17;1-5-10-13(16(17(28)32-10)31-9(4)27)34-18-12(22-24-20)15(30-8(3)26)14(29-7(2)25)11(33-18)6-21-23-19;2*1-17(2,3)24(20)19-15(14-11-7-8-12-23-14)16(18)25(21,22)13-9-5-4-6-10-13;1-11(2,3)16(14)13-9(8-12)10-6-4-5-7-15-10;1-10(2,3)14(12)11-8-9-6-4-5-7-13-9;8-6-11(9,10)7-4-2-1-3-5-7;1-3(5)7-4(2)6;;;;;;;;;;;;;;;;;;/h1-10,21-38,57-61H,11-18H2;2-11,21-29,43H,12-17H2,1H3;1-10,19-27,40-41H,11-16H2;7-24,32-36H,1-6,26-31H2;1-10,18-21,26H,11-15H2;1-10,18-20H,11-15H2;1-10,18-21,28H,11-15H2;4-6,8-10,12,16-17H,7,11,13-14H2,1-3H3;10-18,28H,5-6H2,1-4H3;2*4-6,8-10,12,14-16,19H,7,11H2,1-3H3;5,7,9-10,13H,4,6,8H2,1-3H3;5,7-9H,4,6H2,1-3H3;1-5H,6H2;1-2H3;13*1H4;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2;+1;3*-1/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+;21-,22-,23+,24-,25+,26-,27+,28-,29-;19-,20-,21+,22-,23+,24+,25-,26-,27-;7-,8-,9+,10-,11+,12+,13-,14-,15+,16-,17-,18-,19-,20-,21-,22-,23-,24+;18?,19-,20+,21?;18?,19-,20+;18-,19-,20+,21?;16-,17+,23-;10-,11+,12-,13-,14-,15-,16-,17?,18-;14-,15-,16+,24+;14-,15-,16-,24+;9-,10+,16-;9-,14+;;;;;;;;;;;;;;;;;;;;/m1111111110010..................../s1
InChIKeyVNBHOCKCJMGKGA-CPWGKIRZSA-N
XLogP43.84
TPSA1993.99 Ų
H-Bond Donors25
H-Bond Acceptors98
Rotatable Bonds112
Heavy Atoms463
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006932.81
LogP ≤ 543.84
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1098

Analyze magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane with MolForge

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Related Compounds

(1R,2R,3R,4S,6S)-3-amino-6-(aminomethyl)-4-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxycyclohexane-1,2-diol;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(1S,2R,3R,4R,5S)-2-azido-5-(azidomethyl)-3,4-dihydroxycyclohexyl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate
CID 167663782
[(1R,2R,3S,4S,6S)-2-acetyloxy-4-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-3-azido-6-(azidomethyl)cyclohexyl] acetate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(1S,2R,3R,4R,5S)-2-azido-5-(azidomethyl)-3,4-dihydroxycyclohexyl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate
CID 167708456
sodium;acetyl acetate;[(1S,2S,3R,4S,6R)-2-acetyloxy-4,6-diazido-3-[(2R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]oxycyclohexyl] acetate;[(1S,2S,3R,4S,6R)-2-acetyloxy-4,6-diazido-3-hydroxycyclohexyl] acetate;[(6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl] 2,2,2-trichloroethanimidate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]propyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S)-5-azido-6-hydroxyoxan-2-yl]propyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S)-5-azido-6-oxooxan-2-yl]propyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]propyl]carbamate;benzyl N-benzyl-N-[(1S)-1-[(2S)-5-iodo-6-oxooxan-2-yl]propyl]carbamate;deuterio(fluoro)methane;deuterio(methyl)phosphane;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;methane;azide
CID 167671425
benzyl N-[1-[5-azido-6-[4,6-diazido-2-[4-[3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate
CID 166506760
sodium;[(2R,3R,6S)-2-[(1R,2S,3S,4R,6S)-3-acetyloxy-2-[(2S,3R,4R,5R)-3-acetyloxy-4-[(2R,3R,4R,5R,6S)-4,5-diacetyloxy-3-azido-6-(azidomethyl)oxan-2-yl]oxy-5-ethyloxolan-2-yl]oxy-4,6-diazidocyclohexyl]oxy-6-[[benzyl(phenylmethoxycarbonyl)amino]methyl]oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-6-(aminomethyl)-3-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;benzyl N-benzyl-N-[[(2S,5R,6R)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-5-hydroxyoxan-2-yl]methyl]carbamate;methanolate
CID 167609405
benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]ethyl]-N-benzylcarbamate
CID 164843890
benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate
CID 167542985
benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-5-hydroxy-4-methyloxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]propyl]-N-benzylcarbamate
CID 167542675
CID 167643128
CID 167643128
[6-[4-acetyloxy-5-[2-acetyloxy-3,5-diazido-6-[3-azido-6-[1-[benzyl(phenylmethoxycarbonyl)amino]ethyl]oxan-2-yl]oxycyclohexyl]oxy-2-ethyloxolan-3-yl]oxy-5-azido-2-(azidomethyl)-4-methyloxan-3-yl] acetate
CID 167614723
[2-acetyloxy-4,6-diazido-3-[3-azido-6-[1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]oxycyclohexyl] acetate
CID 166506811
(2S,3S,6R)-5-amino-2-(aminomethyl)-6-[(2R,3R,5S)-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(2S,3S,6R)-5-azido-2-(azidomethyl)-6-[(2R,3R,5S)-5-[(1R,2R,5R)-3,5-diazido-2-[(2S,4R,5S)-3-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 161396462

Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane?
The IUPAC name of magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane (CID 167711160) is magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane.
What is the SMILES notation for magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane?
The canonical SMILES for magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)OC(C)=O.CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H]([C@@H](CF)N(Cc3ccccc3)C(=O)OCc3ccccc3)CC[C@H]2N=[N+]=[N-])[C@@H](N=[N+]=[N-])C[C@H]1N=[N+]=[N-].CC(C)(C)[S@@](=O)N(Cc1ccccc1)[C@H](CF)[C@@H]1CCC=CO1.CC(C)(C)[S@@](=O)N=C[C@@H]1CCC=CO1.CC(C)(C)[S@@](=O)N[C@@H]([C@@H]1CCC=CO1)[C@@H](F)S(=O)(=O)c1ccccc1.CC(C)(C)[S@@](=O)N[C@@H]([C@@H]1CCC=CO1)[C@H](F)S(=O)(=O)c1ccccc1.CC(C)(C)[S@@](=O)N[C@H](CF)[C@@H]1CCC=CO1.CC[C@H]1OC(O)[C@H](OC(C)=O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H]([C@H](N)CF)CC[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=C(OCc1ccccc1)N(Cc1ccccc1)[C@H](CF)[C@@H]1CCC(I)C(O)O1.O=C1O[C@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)CCC1I.O=S(=O)(CF)c1ccccc1.[H-].[H-].[H-].[Mg+2].[N-]=[N+]=NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]3O[C@H]3O[C@H]([C@@H](CF)N(Cc4ccccc4)C(=O)OCc4ccccc4)CC[C@H]3N=[N+]=[N-])O[C@@H]2CO)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O.[N-]=[N+]=N[C@@H]1CC[C@@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)OC1O.[N-]=[N+]=N[C@H]1C[C@@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H]([C@@H](CF)N(Cc2ccccc2)C(=O)OCc2ccccc2)CC[C@H]1N=[N+]=[N-].[Na+].
What is the InChIKey of magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane?
The InChIKey is VNBHOCKCJMGKGA-CPWGKIRZSA-N. The full InChI is InChI=1S/C39H49FN16O13.C30H35FN10O7.C28H33FN10O6.C24H47FN6O11.C22H25FINO4.C22H23FINO4.C22H25FN4O4.C18H26FNO2S.C18H26N6O10.2C17H24FNO4S2.C11H20FNO2S.C10H17NO2S.C7H7FO2S.C4H6O3.13CH4.Mg.Na.3H/c40-14-24(56(16-19-7-3-1-4-8-19)39(62)63-18-20-9-5-2-6-10-20)25-12-11-21(47-52-42)36(64-25)67-33-23(49-54-44)13-22(48-53-43)29(58)35(33)69-38-32(61)34(27(17-57)66-38)68-37-28(50-55-45)31(60)30(59)26(65-37)15-46-51-41;1-18(42)46-27-22(36-39-33)14-23(37-40-34)28(26(27)43)48-29-21(35-38-32)12-13-25(47-29)24(15-31)41(16-19-8-4-2-5-9-19)30(44)45-17-20-10-6-3-7-11-20;29-14-22(39(15-17-7-3-1-4-8-17)28(42)43-16-18-9-5-2-6-10-18)23-12-11-19(33-36-30)27(44-23)45-26-21(35-38-32)13-20(34-37-31)24(40)25(26)41;25-4-10(30)11-2-1-7(27)22(37-11)40-19-9(29)3-8(28)15(33)21(19)42-24-18(36)20(13(6-32)39-24)41-23-14(31)17(35)16(34)12(5-26)38-23;2*23-13-19(20-12-11-18(24)21(26)29-20)25(14-16-7-3-1-4-8-16)22(27)28-15-17-9-5-2-6-10-17;23-13-19(20-12-11-18(25-26-24)21(28)31-20)27(14-16-7-3-1-4-8-16)22(29)30-15-17-9-5-2-6-10-17;1-18(2,3)23(21)20(14-15-9-5-4-6-10-15)16(13-19)17-11-7-8-12-22-17;1-5-10-13(16(17(28)32-10)31-9(4)27)34-18-12(22-24-20)15(30-8(3)26)14(29-7(2)25)11(33-18)6-21-23-19;2*1-17(2,3)24(20)19-15(14-11-7-8-12-23-14)16(18)25(21,22)13-9-5-4-6-10-13;1-11(2,3)16(14)13-9(8-12)10-6-4-5-7-15-10;1-10(2,3)14(12)11-8-9-6-4-5-7-13-9;8-6-11(9,10)7-4-2-1-3-5-7;1-3(5)7-4(2)6;;;;;;;;;;;;;;;;;;/h1-10,21-38,57-61H,11-18H2;2-11,21-29,43H,12-17H2,1H3;1-10,19-27,40-41H,11-16H2;7-24,32-36H,1-6,26-31H2;1-10,18-21,26H,11-15H2;1-10,18-20H,11-15H2;1-10,18-21,28H,11-15H2;4-6,8-10,12,16-17H,7,11,13-14H2,1-3H3;10-18,28H,5-6H2,1-4H3;2*4-6,8-10,12,14-16,19H,7,11H2,1-3H3;5,7,9-10,13H,4,6,8H2,1-3H3;5,7-9H,4,6H2,1-3H3;1-5H,6H2;1-2H3;13*1H4;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2;+1;3*-1/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+;21-,22-,23+,24-,25+,26-,27+,28-,29-;19-,20-,21+,22-,23+,24+,25-,26-,27-;7-,8-,9+,10-,11+,12+,13-,14-,15+,16-,17-,18-,19-,20-,21-,22-,23-,24+;18?,19-,20+,21?;18?,19-,20+;18-,19-,20+,21?;16-,17+,23-;10-,11+,12-,13-,14-,15-,16-,17?,18-;14-,15-,16+,24+;14-,15-,16-,24+;9-,10+,16-;9-,14+;;;;;;;;;;;;;;;;;;;;/m1111111110010..................../s1.
What are the key properties of magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane?
magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane has a molecular weight of 6932.81 g/mol, XLogP of 43.84, 112 rotatable bonds, 25 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;acetyl acetate;[(2S,3R,4R,5R,6R)-4-acetyloxy-6-[(2R,3R,4R)-4-acetyloxy-2-ethyl-5-hydroxyoxolan-3-yl]oxy-5-azido-2-(azidomethyl)oxan-3-yl] acetate;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-amino-2-fluoroethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(R)-N-[(1S,2R)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S,2S)-2-(benzenesulfonyl)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-[(1S)-1-[(2S,5R)-5-azido-6-hydroxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-5-iodo-6-oxooxan-2-yl]ethyl]carbamate;(R)-N-benzyl-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate;(R)-N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-fluoroethyl]-2-methylpropane-2-sulfinamide;(R)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylidene]-2-methylpropane-2-sulfinamide;fluoromethylsulfonylbenzene;hydride;methane is sourced from PubChem (CID 167711160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).