[(2S,3S,5S,7S,8S,9R)-3-[(1R,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyl-7-oxidanylidene-heptyl]-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxy-pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-1,1,8-trimethyl-4,10-dioxaspiro[4.5]decan-2-yl] bis(2-trimethylsilylethyl) phosphate

Systemtic Name: [(2S,3S,5S,7S,8S,9R)-3-[(1R,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyl-7-oxidanylidene-heptyl]-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxy-pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-1,1,8-trimethyl-4,10-dioxaspiro[4.5]decan-2-yl] bis(2-trimethylsilylethyl) phosphate Openeye Name: [(2S,3S,5S,7S,8S,9R)-3-[(1R,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyl-7-oxo-heptyl]-9-[(E)-3-[2-[(1R)-3-[[(2R,3R,4R)-2,3-bis[[diethyl(isopropyl)silyl]oxy]-4-(dimethylamino)-5-methoxy-pentanoyl]amino]-1-methyl-propyl]oxazol-4-yl]allyl]-7-[tert-butyl(dimethyl)silyl]oxy-1,1,8-trimethyl-4,10-dioxaspiro[4.5]decan-2-yl] bis(2-trimethylsilylethyl) phosphate CAS Name: phosphoric acid [(2S,3S,5S,7S,8S,9R)-3-[(1R,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyl-7-oxoheptyl]-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxy-1-oxopentyl]amino]butan-2-yl]-4-oxazolyl]prop-2-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-1,1,8-trimethyl-4,10-dioxaspiro[4.5]decan-2-yl] bis(2-trimethylsilylethyl) ester IUPAC Name: [(2S,3S,5S,7S,8S,9R)-3-[(1R,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyl-7-oxoheptyl]-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-1,1,8-trimethyl-4,10-dioxaspiro[4.5]decan-2-yl] bis(2-trimethylsilylethyl) phosphate Traditional Name: phosphoric acid [(2S,3S,5S,7S,8S,9R)-3-[(1R,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-keto-1-methoxy-4,6-dimethyl-heptyl]-9-[(E)-3-[2-[(1R)-3-[[(2R,3R,4R)-2,3-bis[[diethyl(isopropyl)silyl]oxy]-4-(dimethylamino)-5-methoxy-pentanoyl]amino]-1-methyl-propyl]oxazol-4-yl]allyl]-7-[tert-butyl(dimethyl)silyl]oxy-1,1,8-trimethyl-4,10-dioxaspiro[4.5]decan-2-yl] bis(2-trimethylsilylethyl) ester Formula: C81H166N3O16PSi7 MolecularWeight: 1665.767501

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Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(C(C)C)OC(C(COC)N(C)C)C(C(=O)NCCC(C)C1=NC(=CO1)C=CCC2C(C(CC3(O2)C(C(C(O3)C(CC(C(C)C(C(C)C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC)OP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C)C)O[Si](CC)(CC)C(C)C

Isomeric SMILES

CC[Si](CC)(C(C)C)O[C@H]([C@@H](COC)N(C)C)[C@H](C(=O)NCC[C@@H](C)C1=NC(=CO1)/C=C/C[C@@H]2[C@@H]([C@H](C[C@@]3(O2)C([C@@H]([C@@H](O3)[C@@H](C[C@H]([C@@H](C)[C@H]([C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC)OP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C)C)O[Si](CC)(CC)C(C)C

InChI

InChI=1S/C81H166N3O16PSi7/c1-40-107(41-2,58(5)6)99-71(65(57-88-26)84(24)25)73(100-108(42-3,43-4)59(7)8)75(86)82-48-47-60(9)76-83-64(56-90-76)45-44-46-66-62(11)69(97-105(36,37)78(16,17)18)54-81(93-66)80(22,23)74(95-101(87,91-49-51-102(28,29)30)92-50-52-103(31,32)33)72(94-81)68(89-27)53-67(96-104(34,35)77(13,14)15)63(12)70(61(10)55-85)98-106(38,39)79(19,20)21/h44-45,55-56,58-63,65-74H,40-43,46-54,57H2,1-39H3,(H,82,86)/b45-44+/t60-,61+,62+,63-,65-,66-,67-,68-,69+,70+,71-,72+,73-,74-,81+/m1/s1