(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate

C354H415Cl3F9N25O71S10Si8 — CID 160987799

IUPAC(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate
SMILESCO[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N1C(=O)c2ccccc2C1=O.COc1ccc(COCC2O[C@@H](O[C@@H]3C(N4C(=O)c5ccccc5C4=O)[C@H](OC)OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]3N=[N+]=[N-])C(NC(=O)C(F)(F)F)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccc(OC)cc2)cc1.CS[C@@H]1OC(CO)[C@@H](O)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)C1N1C(=O)c2ccccc2C1=O.CS[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](O)C1C.CS[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](OC(=O)c2ccccc2)C1C.[H]/N=C(/OC1OC(COCc2ccc(OC)cc2)[C@@H](OCc2ccc(OC)cc2)[C@H](OCc2ccc(OC)cc2)C1NC(=O)C(F)(F)F)C(Cl)(Cl)Cl
InChIInChI=1S/C63H68F3N5O14Si.C34H36Cl3F3N2O9.C33H36N4O6SSi.C32H37F3O7S2Si.C31H34N4O6Si.C31H37N3O4SSi.C31H38O5SSi.C24H33N3O3SSi.C23H32N4O3SSi.C22H24O5S.C15H20O5S.C15H20O4S/c1-62(2,3)86(45-16-10-8-11-17-45,46-18-12-9-13-19-46)82-38-49-51(69-70-67)55(53(60(78-7)83-49)71-57(72)47-20-14-15-21-48(47)58(71)73)85-59-52(68-61(74)63(64,65)66)56(81-36-41-26-32-44(77-6)33-27-41)54(80-35-40-24-30-43(76-5)31-25-40)50(84-59)37-79-34-39-22-28-42(75-4)29-23-39;1-44-23-10-4-20(5-11-23)16-47-19-26-28(48-17-21-6-12-24(45-2)13-7-21)29(49-18-22-8-14-25(46-3)15-9-22)27(42-32(43)34(38,39)40)30(50-26)51-31(41)33(35,36)37;1-21(38)42-29-27(35-36-34)26(43-32(44-5)28(29)37-30(39)24-18-12-13-19-25(24)31(37)40)20-41-45(33(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23;1-22-27(41-29(36)23-15-9-6-10-16-23)28(42-44(37,38)32(33,34)35)26(40-30(22)43-5)21-39-45(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-31(2,3)42(20-13-7-5-8-14-20,21-15-9-6-10-16-21)40-19-24-25(33-34-32)27(36)26(30(39-4)41-24)35-28(37)22-17-11-12-18-23(22)29(35)38;1-22-28(38-29(35)23-15-9-6-10-16-23)27(33-34-32)26(37-30(22)39-5)21-36-40(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-22-28(36-29(33)23-15-9-6-10-16-23)27(32)26(35-30(22)37-5)21-34-38(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-17-22(28)21(26-27-25)20(30-23(17)31-5)16-29-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)29-15-18-20(26-27-25)21(28)19(24)22(30-18)31-4;1-14-18(26-20(23)15-9-5-3-6-10-15)19-17(25-22(14)28-2)13-24-21(27-19)16-11-7-4-8-12-16;1-9-13(12(17)11(8-16)19-15(9)21-2)20-14(18)10-6-4-3-5-7-10;1-9-12(16)13-11(18-15(9)20-2)8-17-14(19-13)10-6-4-3-5-7-10/h8-33,49-56,59-60H,34-38H2,1-7H3,(H,68,74);4-15,26-30,41H,16-19H2,1-3H3,(H,42,43);6-19,26-29,32H,20H2,1-5H3;6-20,22,26-28,30H,21H2,1-5H3;5-18,24-27,30,36H,19H2,1-4H3;6-20,22,26-28,30H,21H2,1-5H3;6-20,22,26-28,30,32H,21H2,1-5H3;6-15,17,20-23,28H,16H2,1-5H3;5-14,18-22,28H,15,24H2,1-4H3;3-12,14,17-19,21-22H,13H2,1-2H3;3-7,9,11-13,15-17H,8H2,1-2H3;3-7,9,11-16H,8H2,1-2H3/b;41-31+;;;;;;;;;;/t49?,50?,51-,52?,53?,54+,55-,56+,59-,60+;26?,27?,28-,29-,30?;26?,27-,28?,29-,32-;22?,26?,27-,28-,30+;24?,25-,26?,27-,30+;22?,26?,27-,28+,30-;22?,26?,27-,28-,30+;17?,20?,21-,22+,23-;18?,19?,20-,21+,22-;14?,17?,18-,19-,21?,22+;9?,11?,12-,13-,15+;9?,11?,12-,13-,14?,15+/m010100100111/s1
InChIKeyTUFBYCSHQINUJA-FSWHELCBSA-N
MW6979.02 g/mol
LogP55.63
Rot. Bonds107

About (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate

(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate (PubChem CID 160987799) has the molecular formula C354H415Cl3F9N25O71S10Si8 and a molecular weight of 6979.02 g/mol. Its IUPAC name is (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate.

Molecular Properties

Compound Name(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate
PubChem CID160987799
Molecular FormulaC354H415Cl3F9N25O71S10Si8
Molecular Weight6979.02 g/mol
Exact Mass6971.39
IUPAC Name(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate
SMILESCO[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N1C(=O)c2ccccc2C1=O.COc1ccc(COCC2O[C@@H](O[C@@H]3C(N4C(=O)c5ccccc5C4=O)[C@H](OC)OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]3N=[N+]=[N-])C(NC(=O)C(F)(F)F)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccc(OC)cc2)cc1.CS[C@@H]1OC(CO)[C@@H](O)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)C1N1C(=O)c2ccccc2C1=O.CS[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](O)C1C.CS[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](OC(=O)c2ccccc2)C1C.[H]/N=C(/OC1OC(COCc2ccc(OC)cc2)[C@@H](OCc2ccc(OC)cc2)[C@H](OCc2ccc(OC)cc2)C1NC(=O)C(F)(F)F)C(Cl)(Cl)Cl
InChIInChI=1S/C63H68F3N5O14Si.C34H36Cl3F3N2O9.C33H36N4O6SSi.C32H37F3O7S2Si.C31H34N4O6Si.C31H37N3O4SSi.C31H38O5SSi.C24H33N3O3SSi.C23H32N4O3SSi.C22H24O5S.C15H20O5S.C15H20O4S/c1-62(2,3)86(45-16-10-8-11-17-45,46-18-12-9-13-19-46)82-38-49-51(69-70-67)55(53(60(78-7)83-49)71-57(72)47-20-14-15-21-48(47)58(71)73)85-59-52(68-61(74)63(64,65)66)56(81-36-41-26-32-44(77-6)33-27-41)54(80-35-40-24-30-43(76-5)31-25-40)50(84-59)37-79-34-39-22-28-42(75-4)29-23-39;1-44-23-10-4-20(5-11-23)16-47-19-26-28(48-17-21-6-12-24(45-2)13-7-21)29(49-18-22-8-14-25(46-3)15-9-22)27(42-32(43)34(38,39)40)30(50-26)51-31(41)33(35,36)37;1-21(38)42-29-27(35-36-34)26(43-32(44-5)28(29)37-30(39)24-18-12-13-19-25(24)31(37)40)20-41-45(33(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23;1-22-27(41-29(36)23-15-9-6-10-16-23)28(42-44(37,38)32(33,34)35)26(40-30(22)43-5)21-39-45(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-31(2,3)42(20-13-7-5-8-14-20,21-15-9-6-10-16-21)40-19-24-25(33-34-32)27(36)26(30(39-4)41-24)35-28(37)22-17-11-12-18-23(22)29(35)38;1-22-28(38-29(35)23-15-9-6-10-16-23)27(33-34-32)26(37-30(22)39-5)21-36-40(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-22-28(36-29(33)23-15-9-6-10-16-23)27(32)26(35-30(22)37-5)21-34-38(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-17-22(28)21(26-27-25)20(30-23(17)31-5)16-29-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)29-15-18-20(26-27-25)21(28)19(24)22(30-18)31-4;1-14-18(26-20(23)15-9-5-3-6-10-15)19-17(25-22(14)28-2)13-24-21(27-19)16-11-7-4-8-12-16;1-9-13(12(17)11(8-16)19-15(9)21-2)20-14(18)10-6-4-3-5-7-10;1-9-12(16)13-11(18-15(9)20-2)8-17-14(19-13)10-6-4-3-5-7-10/h8-33,49-56,59-60H,34-38H2,1-7H3,(H,68,74);4-15,26-30,41H,16-19H2,1-3H3,(H,42,43);6-19,26-29,32H,20H2,1-5H3;6-20,22,26-28,30H,21H2,1-5H3;5-18,24-27,30,36H,19H2,1-4H3;6-20,22,26-28,30H,21H2,1-5H3;6-20,22,26-28,30,32H,21H2,1-5H3;6-15,17,20-23,28H,16H2,1-5H3;5-14,18-22,28H,15,24H2,1-4H3;3-12,14,17-19,21-22H,13H2,1-2H3;3-7,9,11-13,15-17H,8H2,1-2H3;3-7,9,11-16H,8H2,1-2H3/b;41-31+;;;;;;;;;;/t49?,50?,51-,52?,53?,54+,55-,56+,59-,60+;26?,27?,28-,29-,30?;26?,27-,28?,29-,32-;22?,26?,27-,28-,30+;24?,25-,26?,27-,30+;22?,26?,27-,28+,30-;22?,26?,27-,28-,30+;17?,20?,21-,22+,23-;18?,19?,20-,21+,22-;14?,17?,18-,19-,21?,22+;9?,11?,12-,13-,15+;9?,11?,12-,13-,14?,15+/m010100100111/s1
InChIKeyTUFBYCSHQINUJA-FSWHELCBSA-N
XLogP55.63
TPSA1233.98 Ų
H-Bond Donors11
H-Bond Acceptors88
Rotatable Bonds107
Heavy Atoms480
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006979.02
LogP ≤ 555.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1088

Analyze (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate with MolForge

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Related Compounds

(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate
CID 123357396
N-[(2R,4S,5R)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide
CID 58400195
[(2R,3R,4R,5R,6R)-2-[[(4aR,6S,7R,8R,8aR)-7-(1,3-dioxoisoindol-2-yl)-6-[(2R,3R,4S,5R,6R)-6-methoxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxan-3-yl] benzoate
CID 102414199
[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,4-diacetyloxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate
CID 11389239
[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] 2,2,2-trichloroethanimidate
CID 10102671
[(2R,4aR,6R,7R,8R,8aS)-7-azido-8-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl] 2,2,2-trichloroethanimidate
CID 11364976
[(2S,3S,4R,5R,6R)-4-[[(4aR,6S,7R,8R,8aS)-8-acetyloxy-7-(1,3-dioxoisoindol-2-yl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-azidooxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] benzoate
CID 102301345
[(2R,4aR,6S,7S,8S,8aR)-7-acetyloxy-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-azido-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 10964320
[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-7,8-diacetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 102396029
[(2S,3R,4S,5R,6S)-2-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-4-phenylmethoxyoxan-3-yl] benzoate
CID 101441862
[(3R,4R,5R,6R)-3-azido-5-[(2R,3R,4S,5S,6R)-3-azido-6-methyl-5-(phenylmethoxycarbonylamino)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxyoxan-2-yl] 2,2,2-trichloroethanimidate
CID 46201281
[(3S,4S,6R)-6-[[(6S,8R,8aR)-7-azido-2-phenyl-6-(2,2,2-trichloroethanimidoyl)oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 59664247

Frequently Asked Questions

What is the IUPAC name of (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate?
The IUPAC name of (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate (CID 160987799) is (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate.
What is the SMILES notation for (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate?
The canonical SMILES for (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate is CO[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N1C(=O)c2ccccc2C1=O.COc1ccc(COCC2O[C@@H](O[C@@H]3C(N4C(=O)c5ccccc5C4=O)[C@H](OC)OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]3N=[N+]=[N-])C(NC(=O)C(F)(F)F)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccc(OC)cc2)cc1.CS[C@@H]1OC(CO)[C@@H](O)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)C1C.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)C1N1C(=O)c2ccccc2C1=O.CS[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](O)C1C.CS[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](OC(=O)c2ccccc2)C1C.[H]/N=C(/OC1OC(COCc2ccc(OC)cc2)[C@@H](OCc2ccc(OC)cc2)[C@H](OCc2ccc(OC)cc2)C1NC(=O)C(F)(F)F)C(Cl)(Cl)Cl.
What is the InChIKey of (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate?
The InChIKey is TUFBYCSHQINUJA-FSWHELCBSA-N. The full InChI is InChI=1S/C63H68F3N5O14Si.C34H36Cl3F3N2O9.C33H36N4O6SSi.C32H37F3O7S2Si.C31H34N4O6Si.C31H37N3O4SSi.C31H38O5SSi.C24H33N3O3SSi.C23H32N4O3SSi.C22H24O5S.C15H20O5S.C15H20O4S/c1-62(2,3)86(45-16-10-8-11-17-45,46-18-12-9-13-19-46)82-38-49-51(69-70-67)55(53(60(78-7)83-49)71-57(72)47-20-14-15-21-48(47)58(71)73)85-59-52(68-61(74)63(64,65)66)56(81-36-41-26-32-44(77-6)33-27-41)54(80-35-40-24-30-43(76-5)31-25-40)50(84-59)37-79-34-39-22-28-42(75-4)29-23-39;1-44-23-10-4-20(5-11-23)16-47-19-26-28(48-17-21-6-12-24(45-2)13-7-21)29(49-18-22-8-14-25(46-3)15-9-22)27(42-32(43)34(38,39)40)30(50-26)51-31(41)33(35,36)37;1-21(38)42-29-27(35-36-34)26(43-32(44-5)28(29)37-30(39)24-18-12-13-19-25(24)31(37)40)20-41-45(33(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23;1-22-27(41-29(36)23-15-9-6-10-16-23)28(42-44(37,38)32(33,34)35)26(40-30(22)43-5)21-39-45(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-31(2,3)42(20-13-7-5-8-14-20,21-15-9-6-10-16-21)40-19-24-25(33-34-32)27(36)26(30(39-4)41-24)35-28(37)22-17-11-12-18-23(22)29(35)38;1-22-28(38-29(35)23-15-9-6-10-16-23)27(33-34-32)26(37-30(22)39-5)21-36-40(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-22-28(36-29(33)23-15-9-6-10-16-23)27(32)26(35-30(22)37-5)21-34-38(31(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-17-22(28)21(26-27-25)20(30-23(17)31-5)16-29-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)29-15-18-20(26-27-25)21(28)19(24)22(30-18)31-4;1-14-18(26-20(23)15-9-5-3-6-10-15)19-17(25-22(14)28-2)13-24-21(27-19)16-11-7-4-8-12-16;1-9-13(12(17)11(8-16)19-15(9)21-2)20-14(18)10-6-4-3-5-7-10;1-9-12(16)13-11(18-15(9)20-2)8-17-14(19-13)10-6-4-3-5-7-10/h8-33,49-56,59-60H,34-38H2,1-7H3,(H,68,74);4-15,26-30,41H,16-19H2,1-3H3,(H,42,43);6-19,26-29,32H,20H2,1-5H3;6-20,22,26-28,30H,21H2,1-5H3;5-18,24-27,30,36H,19H2,1-4H3;6-20,22,26-28,30H,21H2,1-5H3;6-20,22,26-28,30,32H,21H2,1-5H3;6-15,17,20-23,28H,16H2,1-5H3;5-14,18-22,28H,15,24H2,1-4H3;3-12,14,17-19,21-22H,13H2,1-2H3;3-7,9,11-13,15-17H,8H2,1-2H3;3-7,9,11-16H,8H2,1-2H3/b;41-31+;;;;;;;;;;/t49?,50?,51-,52?,53?,54+,55-,56+,59-,60+;26?,27?,28-,29-,30?;26?,27-,28?,29-,32-;22?,26?,27-,28-,30+;24?,25-,26?,27-,30+;22?,26?,27-,28+,30-;22?,26?,27-,28-,30+;17?,20?,21-,22+,23-;18?,19?,20-,21+,22-;14?,17?,18-,19-,21?,22+;9?,11?,12-,13-,15+;9?,11?,12-,13-,14?,15+/m010100100111/s1.
What are the key properties of (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate?
(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate has a molecular weight of 6979.02 g/mol, XLogP of 55.63, 107 rotatable bonds, 11 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(6S,8R,8aS)-7-methyl-6-methylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate;(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4R,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-3-yl]-2,2,2-trifluoroacetamide;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-4-yl] acetate;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol;[(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(4R,5S)-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methyl-6-methylsulfanyloxan-4-yl] benzoate;[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-4-yl] benzoate;[(3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-5-methyl-6-methylsulfanyloxan-4-yl] benzoate is sourced from PubChem (CID 160987799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).