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

C229H290Cl3FI2N54NaO49P — CID 167671425

IUPACsodium;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
SMILESC.C.C.CC(=O)OC(C)=O.CC(=O)O[C@H]1[C@H](O)[C@@H](N=[N+]=[N-])CC(N=[N+]=[N-])[C@@H]1OC(C)=O.CC[C@@H]([C@@H]1CCC(I)C(=O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(I)C(O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])C(=O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])C(O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])C[C@@H]2N=[N+]=[N-])O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](O[C@@H]2[C@@H](N=[N+]=[N-])C[C@@H](N=[N+]=[N-])C(O)[C@H]2O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](O[C@H]2[C@H](O)[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])C[C@@H]2N=[N+]=[N-])O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.[2H]CF.[2H]PC.[H]/N=C(/OC1O[C@H]([C@H](CC)N(Cc2ccccc2)C(=O)OCc2ccccc2)CCC1N=[N+]=[N-])C(Cl)(Cl)Cl.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C33H40N10O8.C31H38N10O7.C29H36N10O6.C25H28Cl3N5O4.C23H28INO4.C23H26INO4.C23H28N4O4.C23H26N4O4.C10H14N6O5.C4H6O3.CH3F.CH5P.3CH4.N3.Na/c1-4-27(43(18-22-11-7-5-8-12-22)33(46)47-19-23-13-9-6-10-14-23)28-16-15-24(37-40-34)32(50-28)51-30-26(39-42-36)17-25(38-41-35)29(48-20(2)44)31(30)49-21(3)45;1-3-25(41(17-20-10-6-4-7-11-20)31(44)45-18-21-12-8-5-9-13-21)26-15-14-22(35-38-32)30(47-26)48-29-24(37-40-34)16-23(36-39-33)28(27(29)43)46-19(2)42;1-2-23(39(16-18-9-5-3-6-10-18)29(42)43-17-19-11-7-4-8-12-19)24-14-13-20(33-36-30)28(44-24)45-27-22(35-38-32)15-21(34-37-31)25(40)26(27)41;1-2-20(21-14-13-19(31-32-30)22(36-21)37-23(29)25(26,27)28)33(15-17-9-5-3-6-10-17)24(34)35-16-18-11-7-4-8-12-18;2*1-2-20(21-14-13-19(24)22(26)29-21)25(15-17-9-5-3-6-10-17)23(27)28-16-18-11-7-4-8-12-18;2*1-2-20(21-14-13-19(25-26-24)22(28)31-21)27(15-17-9-5-3-6-10-17)23(29)30-16-18-11-7-4-8-12-18;1-4(17)20-9-7(14-16-12)3-6(13-15-11)8(19)10(9)21-5(2)18;1-3(5)7-4(2)6;2*1-2;;;;1-3-2;/h5-14,24-32H,4,15-19H2,1-3H3;4-13,22-30,43H,3,14-18H2,1-2H3;3-12,20-28,40-41H,2,13-17H2,1H3;3-12,19-22,29H,2,13-16H2,1H3;3-12,19-22,26H,2,13-16H2,1H3;3-12,19-21H,2,13-16H2,1H3;3-12,19-22,28H,2,13-16H2,1H3;3-12,19-21H,2,13-16H2,1H3;6-10,19H,3H2,1-2H3;1-2H3;1H3;2H2,1H3;3*1H4;;/q;;;;;;;;;;;;;;;-1;+1/b;;;29-23+;;;;;;;;;;;;;/t24?,25-,26+,27+,28+,29+,30-,31-,32-;22-,23-,24+,25+,26+,27-,28+,29-,30-;20-,21-,22+,23+,24+,25?,26-,27-,28-;2*19?,20-,21-,22?;19?,20-,21-;19?,20-,21-,22?;19?,20-,21-;6-,7?,8+,9-,10-;;;;;;;;/m111000000......../s1/i;;;;;;;;;;1D;2D;;;;;
InChIKeyIQGYZDGLOVHITB-PFQQGULLSA-N
MW5018.31 g/mol
LogP47.54
Rot. Bonds82

About 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

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 (PubChem CID 167671425) has the molecular formula C229H290Cl3FI2N54NaO49P and a molecular weight of 5018.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namesodium;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
PubChem CID167671425
Molecular FormulaC229H290Cl3FI2N54NaO49P
Molecular Weight5018.31 g/mol
Exact Mass5013.88
IUPAC Namesodium;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
SMILESC.C.C.CC(=O)OC(C)=O.CC(=O)O[C@H]1[C@H](O)[C@@H](N=[N+]=[N-])CC(N=[N+]=[N-])[C@@H]1OC(C)=O.CC[C@@H]([C@@H]1CCC(I)C(=O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(I)C(O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])C(=O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])C(O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])C[C@@H]2N=[N+]=[N-])O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](O[C@@H]2[C@@H](N=[N+]=[N-])C[C@@H](N=[N+]=[N-])C(O)[C@H]2O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](O[C@H]2[C@H](O)[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])C[C@@H]2N=[N+]=[N-])O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.[2H]CF.[2H]PC.[H]/N=C(/OC1O[C@H]([C@H](CC)N(Cc2ccccc2)C(=O)OCc2ccccc2)CCC1N=[N+]=[N-])C(Cl)(Cl)Cl.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C33H40N10O8.C31H38N10O7.C29H36N10O6.C25H28Cl3N5O4.C23H28INO4.C23H26INO4.C23H28N4O4.C23H26N4O4.C10H14N6O5.C4H6O3.CH3F.CH5P.3CH4.N3.Na/c1-4-27(43(18-22-11-7-5-8-12-22)33(46)47-19-23-13-9-6-10-14-23)28-16-15-24(37-40-34)32(50-28)51-30-26(39-42-36)17-25(38-41-35)29(48-20(2)44)31(30)49-21(3)45;1-3-25(41(17-20-10-6-4-7-11-20)31(44)45-18-21-12-8-5-9-13-21)26-15-14-22(35-38-32)30(47-26)48-29-24(37-40-34)16-23(36-39-33)28(27(29)43)46-19(2)42;1-2-23(39(16-18-9-5-3-6-10-18)29(42)43-17-19-11-7-4-8-12-19)24-14-13-20(33-36-30)28(44-24)45-27-22(35-38-32)15-21(34-37-31)25(40)26(27)41;1-2-20(21-14-13-19(31-32-30)22(36-21)37-23(29)25(26,27)28)33(15-17-9-5-3-6-10-17)24(34)35-16-18-11-7-4-8-12-18;2*1-2-20(21-14-13-19(24)22(26)29-21)25(15-17-9-5-3-6-10-17)23(27)28-16-18-11-7-4-8-12-18;2*1-2-20(21-14-13-19(25-26-24)22(28)31-21)27(15-17-9-5-3-6-10-17)23(29)30-16-18-11-7-4-8-12-18;1-4(17)20-9-7(14-16-12)3-6(13-15-11)8(19)10(9)21-5(2)18;1-3(5)7-4(2)6;2*1-2;;;;1-3-2;/h5-14,24-32H,4,15-19H2,1-3H3;4-13,22-30,43H,3,14-18H2,1-2H3;3-12,20-28,40-41H,2,13-17H2,1H3;3-12,19-22,29H,2,13-16H2,1H3;3-12,19-22,26H,2,13-16H2,1H3;3-12,19-21H,2,13-16H2,1H3;3-12,19-22,28H,2,13-16H2,1H3;3-12,19-21H,2,13-16H2,1H3;6-10,19H,3H2,1-2H3;1-2H3;1H3;2H2,1H3;3*1H4;;/q;;;;;;;;;;;;;;;-1;+1/b;;;29-23+;;;;;;;;;;;;;/t24?,25-,26+,27+,28+,29+,30-,31-,32-;22-,23-,24+,25+,26+,27-,28+,29-,30-;20-,21-,22+,23+,24+,25?,26-,27-,28-;2*19?,20-,21-,22?;19?,20-,21-;19?,20-,21-,22?;19?,20-,21-;6-,7?,8+,9-,10-;;;;;;;;/m111000000......../s1/i;;;;;;;;;;1D;2D;;;;;
InChIKeyIQGYZDGLOVHITB-PFQQGULLSA-N
XLogP47.54
TPSA1442.66 Ų
H-Bond Donors7
H-Bond Acceptors64
Rotatable Bonds82
Heavy Atoms340
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005018.31
LogP ≤ 547.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1064

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

[2-acetyloxy-4,6-diazido-3-[3-azido-6-[1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]oxycyclohexyl] acetate
CID 166506811
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)-5-azido-6-oxooxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;benzyl N-benzyl-N-[(1S)-2-fluoro-1-[(2S)-6-hydroxy-5-iodooxan-2-yl]ethyl]carbamate
CID 167633562
[(1S,2S,3R,4S,6R)-2-acetyloxy-4,6-diazido-3-[(2R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]ethyl]oxan-2-yl]oxycyclohexyl] acetate
CID 164843841
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
[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(1S,2R,5R)-2-azido-5-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]cyclohexyl]oxy-2-hydroxycyclohexyl] acetate
CID 166506753
[(1S,2S)-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]-4,6-diazido-2-hydroxycyclohexyl] acetate
CID 167267430
benzyl N-[(1R)-1-[(2S,6R)-5-azido-6-[(2S,3S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxan-2-yl]propyl]-N-benzylcarbamate
CID 167266421
benzyl N-[(1R)-1-[(2S)-5-azido-6-[(1R,2S,3S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxan-2-yl]propyl]-N-benzylcarbamate
CID 167266388
[(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
[(2R,3R,4R,5S)-4-acetyloxy-3-[(2R,3R,4R,5S,6S)-5-acetyloxy-3-azido-6-(azidomethyl)-4-methyloxan-2-yl]oxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-3,5-diazido-6-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]oxycyclohexyl]oxyoxolan-2-yl]methyl acetate
CID 167542676
benzyl N-[(1R)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-hydroxy-3-methylcyclohexyl]oxyoxan-2-yl]ethyl]-N-benzylcarbamate
CID 167546569

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.CC(=O)OC(C)=O.CC(=O)O[C@H]1[C@H](O)[C@@H](N=[N+]=[N-])CC(N=[N+]=[N-])[C@@H]1OC(C)=O.CC[C@@H]([C@@H]1CCC(I)C(=O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(I)C(O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])C(=O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])C(O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CCC(N=[N+]=[N-])[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])C[C@@H]2N=[N+]=[N-])O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](O[C@@H]2[C@@H](N=[N+]=[N-])C[C@@H](N=[N+]=[N-])C(O)[C@H]2O)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.CC[C@@H]([C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](O[C@H]2[C@H](O)[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])C[C@@H]2N=[N+]=[N-])O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.[2H]CF.[2H]PC.[H]/N=C(/OC1O[C@H]([C@H](CC)N(Cc2ccccc2)C(=O)OCc2ccccc2)CCC1N=[N+]=[N-])C(Cl)(Cl)Cl.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of 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?
The InChIKey is IQGYZDGLOVHITB-PFQQGULLSA-N. The full InChI is InChI=1S/C33H40N10O8.C31H38N10O7.C29H36N10O6.C25H28Cl3N5O4.C23H28INO4.C23H26INO4.C23H28N4O4.C23H26N4O4.C10H14N6O5.C4H6O3.CH3F.CH5P.3CH4.N3.Na/c1-4-27(43(18-22-11-7-5-8-12-22)33(46)47-19-23-13-9-6-10-14-23)28-16-15-24(37-40-34)32(50-28)51-30-26(39-42-36)17-25(38-41-35)29(48-20(2)44)31(30)49-21(3)45;1-3-25(41(17-20-10-6-4-7-11-20)31(44)45-18-21-12-8-5-9-13-21)26-15-14-22(35-38-32)30(47-26)48-29-24(37-40-34)16-23(36-39-33)28(27(29)43)46-19(2)42;1-2-23(39(16-18-9-5-3-6-10-18)29(42)43-17-19-11-7-4-8-12-19)24-14-13-20(33-36-30)28(44-24)45-27-22(35-38-32)15-21(34-37-31)25(40)26(27)41;1-2-20(21-14-13-19(31-32-30)22(36-21)37-23(29)25(26,27)28)33(15-17-9-5-3-6-10-17)24(34)35-16-18-11-7-4-8-12-18;2*1-2-20(21-14-13-19(24)22(26)29-21)25(15-17-9-5-3-6-10-17)23(27)28-16-18-11-7-4-8-12-18;2*1-2-20(21-14-13-19(25-26-24)22(28)31-21)27(15-17-9-5-3-6-10-17)23(29)30-16-18-11-7-4-8-12-18;1-4(17)20-9-7(14-16-12)3-6(13-15-11)8(19)10(9)21-5(2)18;1-3(5)7-4(2)6;2*1-2;;;;1-3-2;/h5-14,24-32H,4,15-19H2,1-3H3;4-13,22-30,43H,3,14-18H2,1-2H3;3-12,20-28,40-41H,2,13-17H2,1H3;3-12,19-22,29H,2,13-16H2,1H3;3-12,19-22,26H,2,13-16H2,1H3;3-12,19-21H,2,13-16H2,1H3;3-12,19-22,28H,2,13-16H2,1H3;3-12,19-21H,2,13-16H2,1H3;6-10,19H,3H2,1-2H3;1-2H3;1H3;2H2,1H3;3*1H4;;/q;;;;;;;;;;;;;;;-1;+1/b;;;29-23+;;;;;;;;;;;;;/t24?,25-,26+,27+,28+,29+,30-,31-,32-;22-,23-,24+,25+,26+,27-,28+,29-,30-;20-,21-,22+,23+,24+,25?,26-,27-,28-;2*19?,20-,21-,22?;19?,20-,21-;19?,20-,21-,22?;19?,20-,21-;6-,7?,8+,9-,10-;;;;;;;;/m111000000......../s1/i;;;;;;;;;;1D;2D;;;;;.
What are the key properties of 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?
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 has a molecular weight of 5018.31 g/mol, XLogP of 47.54, 82 rotatable bonds, 7 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167671425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).