[(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)

C312H418Cl6N24O88Si4 — CID 161170129

IUPAC[(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)
SMILESCNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@@H](O)[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@@H](O[C@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@@H](O)[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@H](O[C@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@@H](C)[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@H](O[C@@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@H](O[C@@H]5OC(COC(C)=O)[C@@H](O[C@@H]6OC(C)[C@@H](C)[C@@H](OCc7ccccc7)C6C)[C@H](C)C5N=[N+]=[N-])[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(/O[C@@H]1OC(COC(C)=O)[C@@H](O[C@@H]2OC(C)[C@@H](C)[C@@H](OCc3ccccc3)C2C)[C@H](C)C1N=[N+]=[N-])C(Cl)(Cl)Cl.[H]/N=C(/O[C@H]1OC(COC(C)=O)[C@@H](O[C@@H]2OC(C)[C@@H](C)[C@@H](OCc3ccccc3)C2C)[C@H](C)C1N=[N+]=[N-])C(Cl)(Cl)Cl
InChIInChI=1S/C86H119N7O20Si.C63H88N4O13Si.C62H86N4O14Si.C39H55NO7Si.2C26H35Cl3N4O7.10CO2/c1-49-56(8)103-80(53(5)72(49)99-43-61-33-23-18-24-34-61)110-74-51(3)70(90-92-87)84(107-66(74)46-97-59(11)94)113-79-58(10)105-82(55(7)77(79)101-45-63-37-27-20-28-38-63)111-75-52(4)71(91-93-88)85(108-67(75)47-98-60(12)95)112-78-57(9)104-81(54(6)76(78)100-44-62-35-25-19-26-36-62)109-73-50(2)69(89-16)83(96-17)106-68(73)48-102-114(86(13,14)15,64-39-29-21-30-40-64)65-41-31-22-32-42-65;1-38-43(6)74-59(41(4)54(38)71-34-46-26-18-14-19-27-46)79-56-40(3)53(66-67-64)62(77-50(56)36-70-45(8)68)80-58-44(7)75-60(42(5)57(58)72-35-47-28-20-15-21-29-47)78-55-39(2)52(65-12)61(69-13)76-51(55)37-73-81(63(9,10)11,48-30-22-16-23-31-48)49-32-24-17-25-33-49;1-37-50(64-11)60(69-12)76-49(36-73-81(62(8,9)10,46-29-21-15-22-30-46)47-31-23-16-24-32-47)53(37)78-59-40(4)56(72-34-45-27-19-14-20-28-45)57(42(6)75-59)80-61-51(65-66-63)38(2)54(48(77-61)35-70-43(7)67)79-58-39(3)55(52(68)41(5)74-58)71-33-44-25-17-13-18-26-44;1-26-33(40-7)38(42-8)46-32(25-44-48(39(4,5)6,30-20-14-10-15-21-30)31-22-16-11-17-23-31)35(26)47-37-27(2)36(34(41)28(3)45-37)43-24-29-18-12-9-13-19-29;2*1-13-16(4)37-23(15(3)21(13)36-11-18-9-7-6-8-10-18)39-22-14(2)20(32-33-31)24(40-25(30)26(27,28)29)38-19(22)12-35-17(5)34;10*2-1-3/h18-42,49-58,66-85,89H,43-48H2,1-17H3;14-33,38-44,50-62,65H,34-37H2,1-13H3;13-32,37-42,48-61,64,68H,33-36H2,1-12H3;9-23,26-28,32-38,40-41H,24-25H2,1-8H3;2*6-10,13-16,19-24,30H,11-12H2,1-5H3;;;;;;;;;;/b;;;;2*30-25+;;;;;;;;;;/t49-,50-,51-,52-,53?,54?,55?,56?,57?,58?,66?,67?,68?,69?,70?,71?,72-,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+;38-,39-,40-,41?,42?,43?,44?,50?,51?,52?,53?,54-,55+,56+,57+,58+,59+,60+,61+,62-;37-,38-,39?,40?,41?,42?,48?,49?,50?,51?,52-,53+,54+,55+,56+,57-,58+,59+,60+,61-;26-,27?,28?,32?,33?,34-,35+,36+,37+,38+;13-,14-,15?,16?,19?,20?,21-,22+,23+,24+;13-,14-,15?,16?,19?,20?,21-,22+,23+,24-;;;;;;;;;;/m111111........../s1
InChIKeyURBLKELCCDFZCC-IKGSXCQCSA-N
MW6237.92 g/mol
LogP41.44
Rot. Bonds106

About [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)

[(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide) (PubChem CID 161170129) has the molecular formula C312H418Cl6N24O88Si4 and a molecular weight of 6237.92 g/mol. Its IUPAC name is [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide).

Molecular Properties

Compound Name[(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)
PubChem CID161170129
Molecular FormulaC312H418Cl6N24O88Si4
Molecular Weight6237.92 g/mol
Exact Mass6230.62
IUPAC Name[(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)
SMILESCNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@@H](O)[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@@H](O[C@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@@H](O)[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@H](O[C@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@@H](C)[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@H](O[C@@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@H](O[C@@H]5OC(COC(C)=O)[C@@H](O[C@@H]6OC(C)[C@@H](C)[C@@H](OCc7ccccc7)C6C)[C@H](C)C5N=[N+]=[N-])[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(/O[C@@H]1OC(COC(C)=O)[C@@H](O[C@@H]2OC(C)[C@@H](C)[C@@H](OCc3ccccc3)C2C)[C@H](C)C1N=[N+]=[N-])C(Cl)(Cl)Cl.[H]/N=C(/O[C@H]1OC(COC(C)=O)[C@@H](O[C@@H]2OC(C)[C@@H](C)[C@@H](OCc3ccccc3)C2C)[C@H](C)C1N=[N+]=[N-])C(Cl)(Cl)Cl
InChIInChI=1S/C86H119N7O20Si.C63H88N4O13Si.C62H86N4O14Si.C39H55NO7Si.2C26H35Cl3N4O7.10CO2/c1-49-56(8)103-80(53(5)72(49)99-43-61-33-23-18-24-34-61)110-74-51(3)70(90-92-87)84(107-66(74)46-97-59(11)94)113-79-58(10)105-82(55(7)77(79)101-45-63-37-27-20-28-38-63)111-75-52(4)71(91-93-88)85(108-67(75)47-98-60(12)95)112-78-57(9)104-81(54(6)76(78)100-44-62-35-25-19-26-36-62)109-73-50(2)69(89-16)83(96-17)106-68(73)48-102-114(86(13,14)15,64-39-29-21-30-40-64)65-41-31-22-32-42-65;1-38-43(6)74-59(41(4)54(38)71-34-46-26-18-14-19-27-46)79-56-40(3)53(66-67-64)62(77-50(56)36-70-45(8)68)80-58-44(7)75-60(42(5)57(58)72-35-47-28-20-15-21-29-47)78-55-39(2)52(65-12)61(69-13)76-51(55)37-73-81(63(9,10)11,48-30-22-16-23-31-48)49-32-24-17-25-33-49;1-37-50(64-11)60(69-12)76-49(36-73-81(62(8,9)10,46-29-21-15-22-30-46)47-31-23-16-24-32-47)53(37)78-59-40(4)56(72-34-45-27-19-14-20-28-45)57(42(6)75-59)80-61-51(65-66-63)38(2)54(48(77-61)35-70-43(7)67)79-58-39(3)55(52(68)41(5)74-58)71-33-44-25-17-13-18-26-44;1-26-33(40-7)38(42-8)46-32(25-44-48(39(4,5)6,30-20-14-10-15-21-30)31-22-16-11-17-23-31)35(26)47-37-27(2)36(34(41)28(3)45-37)43-24-29-18-12-9-13-19-29;2*1-13-16(4)37-23(15(3)21(13)36-11-18-9-7-6-8-10-18)39-22-14(2)20(32-33-31)24(40-25(30)26(27,28)29)38-19(22)12-35-17(5)34;10*2-1-3/h18-42,49-58,66-85,89H,43-48H2,1-17H3;14-33,38-44,50-62,65H,34-37H2,1-13H3;13-32,37-42,48-61,64,68H,33-36H2,1-12H3;9-23,26-28,32-38,40-41H,24-25H2,1-8H3;2*6-10,13-16,19-24,30H,11-12H2,1-5H3;;;;;;;;;;/b;;;;2*30-25+;;;;;;;;;;/t49-,50-,51-,52-,53?,54?,55?,56?,57?,58?,66?,67?,68?,69?,70?,71?,72-,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+;38-,39-,40-,41?,42?,43?,44?,50?,51?,52?,53?,54-,55+,56+,57+,58+,59+,60+,61+,62-;37-,38-,39?,40?,41?,42?,48?,49?,50?,51?,52-,53+,54+,55+,56+,57-,58+,59+,60+,61-;26-,27?,28?,32?,33?,34-,35+,36+,37+,38+;13-,14-,15?,16?,19?,20?,21-,22+,23+,24+;13-,14-,15?,16?,19?,20?,21-,22+,23+,24-;;;;;;;;;;/m111111........../s1
InChIKeyURBLKELCCDFZCC-IKGSXCQCSA-N
XLogP41.44
TPSA1426.46 Ų
H-Bond Donors8
H-Bond Acceptors100
Rotatable Bonds106
Heavy Atoms434
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006237.92
LogP ≤ 541.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 10100

Analyze [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide) with MolForge

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Related Compounds

[(3S,4R,6R)-3-[(2S,4S,5S)-5-[(2S,4R,5S)-6-(acetyloxymethyl)-5-[(2S,4S,5R)-5-[(2R,4R,5S)-6-(acetyloxymethyl)-3-azido-5-[(2S,4R,5R)-6-benzyl-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]oxy-6-benzyl-3-methyl-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-methyloxan-2-yl]oxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-6-methoxy-4,5-dimethyloxan-2-yl]methyl acetate;[(3S,4R,6R)-3-[(2S,4S,5R)-5-[(2S,4R,5S)-6-(acetyloxymethyl)-5-[(2S,4S,5S)-5-[(2S,4R,5S)-6-(acetyloxymethyl)-3-azido-5-[(2S,4S,5R)-6-benzyl-5-hydroxy-3-methyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]oxy-6-benzyl-3-methyl-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-methyloxan-2-yl]oxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-6-methoxy-4,5-dimethyloxan-2-yl]methyl acetate;[(3S,4R,6R)-3-[(2S,4S,5S)-5-[(2S,4R,5S)-6-(acetyloxymethyl)-3-azido-5-[(2S,4R,5R)-6-benzyl-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]oxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-6-methoxy-4,5-dimethyloxan-2-yl]methyl acetate;[(3S,4R,6R)-3-[(2S,4S,5S)-5-[(2S,4R,5S)-6-(acetyloxymethyl)-3-azido-5-[(2S,4S,5R)-6-benzyl-5-hydroxy-3-methyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]oxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-6-methoxy-4,5-dimethyloxan-2-yl]methyl acetate;[(3S,4R)-5-azido-3-[(2S,4R,5R)-6-benzyl-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate;dodecakis(carbon dioxide);[(3S,4R,6R)-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-6-methoxy-4,5-dimethyloxan-2-yl]methyl acetate
CID 158676536
[(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 173465055
(3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol
CID 173465057
[(3S,4R,6S)-3-[(2S,4S,5S)-5-[(2S,4R,5S)-6-(acetyloxymethyl)-5-[(2S,4S,5R)-5-[(2R,4R,5S)-6-(acetyloxymethyl)-3-azido-4-methyl-5-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-3-azido-4-methyloxan-2-yl]oxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-5-azido-6-methoxy-4-methyloxan-2-yl]methyl acetate
CID 158664687
[(3S,4R)-3-[(2S,4S,5R)-5-[(2S,4R,5S)-6-(acetyloxymethyl)-3-azido-4-methyl-5-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-5-azido-6-hydroxy-4-methyloxan-2-yl]methyl acetate
CID 159329809
methyl (3S,4S,6R)-3-[(2R,4S,5S)-6-(acetyloxymethyl)-3-azido-4,5-dimethyloxan-2-yl]oxy-6-[(3S,4R)-2-(acetyloxymethyl)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-4-methyl-5-phenylmethoxyoxane-2-carboxylate
CID 163840108
[3-[3-acetyloxy-6-ethyl-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]oxy-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate;carbon dioxide
CID 158443138
[(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
methyl (3S,4R,6R)-5-acetyloxy-6-[(3S,5S)-2-(acetyloxymethyl)-5-azido-4-phenylmethoxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-3-methyl-4-phenylmethoxyoxane-2-carboxylate
CID 91013915
[(3S,4S,6S)-6-[(4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3R,4S,6R)-2,5-dimethyl-6-pent-4-ynoxy-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-3,4-dimethyloxan-2-yl]methyl acetate;tris(carbon dioxide)
CID 123666092
[5-azido-3,4-dimethoxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate;benzyl (2R,3S,6R)-3-[(2R,5S,6S)-4-acetyloxy-6-(acetyloxymethyl)-5-[(2R,4S,5S)-5-[(2R,4R,5S)-6-(acetyloxymethyl)-3-azido-4,5-dimethoxyoxan-2-yl]oxy-3,4-dimethoxy-6-phenylmethoxycarbonyloxan-2-yl]oxy-3-methyloxan-2-yl]oxy-4,5-dimethoxy-6-[(3R,4R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxane-2-carboxylate
CID 161032977
CID 147557919
CID 147557919

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)?
The IUPAC name of [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide) (CID 161170129) is [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide).
What is the SMILES notation for [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)?
The canonical SMILES for [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide) is CNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@@H](O)[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@@H](O[C@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@@H](O)[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@H](O[C@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@@H](C)[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.CNC1[C@H](OC)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@H](O[C@@H]3OC(COC(C)=O)[C@@H](O[C@@H]4OC(C)[C@H](O[C@@H]5OC(COC(C)=O)[C@@H](O[C@@H]6OC(C)[C@@H](C)[C@@H](OCc7ccccc7)C6C)[C@H](C)C5N=[N+]=[N-])[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@@H]1C.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(/O[C@@H]1OC(COC(C)=O)[C@@H](O[C@@H]2OC(C)[C@@H](C)[C@@H](OCc3ccccc3)C2C)[C@H](C)C1N=[N+]=[N-])C(Cl)(Cl)Cl.[H]/N=C(/O[C@H]1OC(COC(C)=O)[C@@H](O[C@@H]2OC(C)[C@@H](C)[C@@H](OCc3ccccc3)C2C)[C@H](C)C1N=[N+]=[N-])C(Cl)(Cl)Cl.
What is the InChIKey of [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)?
The InChIKey is URBLKELCCDFZCC-IKGSXCQCSA-N. The full InChI is InChI=1S/C86H119N7O20Si.C63H88N4O13Si.C62H86N4O14Si.C39H55NO7Si.2C26H35Cl3N4O7.10CO2/c1-49-56(8)103-80(53(5)72(49)99-43-61-33-23-18-24-34-61)110-74-51(3)70(90-92-87)84(107-66(74)46-97-59(11)94)113-79-58(10)105-82(55(7)77(79)101-45-63-37-27-20-28-38-63)111-75-52(4)71(91-93-88)85(108-67(75)47-98-60(12)95)112-78-57(9)104-81(54(6)76(78)100-44-62-35-25-19-26-36-62)109-73-50(2)69(89-16)83(96-17)106-68(73)48-102-114(86(13,14)15,64-39-29-21-30-40-64)65-41-31-22-32-42-65;1-38-43(6)74-59(41(4)54(38)71-34-46-26-18-14-19-27-46)79-56-40(3)53(66-67-64)62(77-50(56)36-70-45(8)68)80-58-44(7)75-60(42(5)57(58)72-35-47-28-20-15-21-29-47)78-55-39(2)52(65-12)61(69-13)76-51(55)37-73-81(63(9,10)11,48-30-22-16-23-31-48)49-32-24-17-25-33-49;1-37-50(64-11)60(69-12)76-49(36-73-81(62(8,9)10,46-29-21-15-22-30-46)47-31-23-16-24-32-47)53(37)78-59-40(4)56(72-34-45-27-19-14-20-28-45)57(42(6)75-59)80-61-51(65-66-63)38(2)54(48(77-61)35-70-43(7)67)79-58-39(3)55(52(68)41(5)74-58)71-33-44-25-17-13-18-26-44;1-26-33(40-7)38(42-8)46-32(25-44-48(39(4,5)6,30-20-14-10-15-21-30)31-22-16-11-17-23-31)35(26)47-37-27(2)36(34(41)28(3)45-37)43-24-29-18-12-9-13-19-29;2*1-13-16(4)37-23(15(3)21(13)36-11-18-9-7-6-8-10-18)39-22-14(2)20(32-33-31)24(40-25(30)26(27,28)29)38-19(22)12-35-17(5)34;10*2-1-3/h18-42,49-58,66-85,89H,43-48H2,1-17H3;14-33,38-44,50-62,65H,34-37H2,1-13H3;13-32,37-42,48-61,64,68H,33-36H2,1-12H3;9-23,26-28,32-38,40-41H,24-25H2,1-8H3;2*6-10,13-16,19-24,30H,11-12H2,1-5H3;;;;;;;;;;/b;;;;2*30-25+;;;;;;;;;;/t49-,50-,51-,52-,53?,54?,55?,56?,57?,58?,66?,67?,68?,69?,70?,71?,72-,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+;38-,39-,40-,41?,42?,43?,44?,50?,51?,52?,53?,54-,55+,56+,57+,58+,59+,60+,61+,62-;37-,38-,39?,40?,41?,42?,48?,49?,50?,51?,52-,53+,54+,55+,56+,57-,58+,59+,60+,61-;26-,27?,28?,32?,33?,34-,35+,36+,37+,38+;13-,14-,15?,16?,19?,20?,21-,22+,23+,24+;13-,14-,15?,16?,19?,20?,21-,22+,23+,24-;;;;;;;;;;/m111111........../s1.
What are the key properties of [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide)?
[(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide) has a molecular weight of 6237.92 g/mol, XLogP of 41.44, 106 rotatable bonds, 8 hydrogen bond donors, and 100 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,6S)-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-(acetyloxymethyl)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-3-[(2S,4S,5R)-5-hydroxy-3,6-dimethyl-4-phenylmethoxyoxan-2-yl]oxy-4-methyloxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-6-[(3S,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6S)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-azido-4-methyl-6-(2,2,2-trichloroethanimidoyl)oxy-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate;(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyl-5-(methylamino)oxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol;decakis(carbon dioxide) is sourced from PubChem (CID 161170129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).