[(2R,3S,4R,5R,6S)-6-[[(2R,4aR,6S,7S,8S,8aR)-6-[(2R,3R,4S,5R,6R)-6-octoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetamido-3,4-bis(phenylmethoxy)oxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R,3S,4R,5R,6S)-6-[[(2R,4aR,6S,7S,8S,8aR)-6-[(2R,3R,4S,5R,6R)-6-octoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetamido-3,4-bis(phenylmethoxy)oxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R,3S,4R,5R,6S)-6-[[(2R,4aR,6S,7S,8S,8aR)-7-benzyloxy-6-[(2R,3R,4S,5R,6R)-4,5-dibenzyloxy-2-(benzyloxymethyl)-6-octoxy-tetrahydropyran-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetamido-3,4-dibenzyloxy-tetrahydropyran-2-yl]methyl 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R,3S,4R,5R,6S)-6-[[(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,3R,4S,5R,6R)-6-octoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetamido-3,4-bis(phenylmethoxy)-2-oxanyl]methyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R,3S,4R,5R,6S)-6-[[(2R,4aR,6S,7S,8S,8aR)-6-[(2R,3R,4S,5R,6R)-6-octoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetamido-3,4-bis(phenylmethoxy)oxan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R,3S,4R,5R,6S)-6-[[(2R,4aR,6S,7S,8S,8aR)-7-benzoxy-6-[(2R,3R,4S,5R,6R)-4,5-dibenzoxy-2-(benzoxymethyl)-6-octoxy-tetrahydropyran-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-acetamido-3,4-dibenzoxy-tetrahydropyran-2-yl]methyl 2-(trimethylammonio)ethyl phosphate Formula: C82H103N2O19P MolecularWeight: 1451.670981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OC6C(C(C(C(O6)COP(=O)([O-])OCC[N+](C)(C)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@H]([C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COP(=O)([O-])OCC[N+](C)(C)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C82H103N2O19P/c1-6-7-8-9-10-32-48-89-81-77(93-54-64-41-26-15-27-42-64)75(92-53-63-39-24-14-25-40-63)72(67(99-81)56-88-50-60-33-18-11-19-34-60)102-82-78(94-55-65-43-28-16-29-44-65)76(73-68(100-82)57-95-79(101-73)66-45-30-17-31-46-66)103-80-70(83-59(2)85)74(91-52-62-37-22-13-23-38-62)71(90-51-61-35-20-12-21-36-61)69(98-80)58-97-104(86,87)96-49-47-84(3,4)5/h11-31,33-46,67-82H,6-10,32,47-58H2,1-5H3,(H-,83,85,86,87)/t67-,68-,69-,70-,71-,72-,73-,74-,75+,76+,77-,78+,79-,80+,81-,82+/m1/s1