[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] [(2S,3S,4R)-2-(hexacosanoylamino)-3,4-bis(oxidanyl)octadecyl] hydrogen phosphate

Systemtic Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] [(2S,3S,4R)-2-(hexacosanoylamino)-3,4-bis(oxidanyl)octadecyl] hydrogen phosphate Openeye Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-3,4,5,6-tetrahydroxy-cyclohexyl] [(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecyl] hydrogen phosphate CAS Name: [(1R,2R,3S,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-3,4,5,6-tetrahydroxycyclohexyl] [(2S,3S,4R)-3,4-dihydroxy-2-(1-oxohexacosylamino)octadecyl] hydrogen phosphate IUPAC Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydroxycyclohexyl] [(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxyoctadecyl] hydrogen phosphate Traditional Name: [(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-azido-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-3,4,5,6-tetrahydroxy-cyclohexyl] [(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecyl] hydrogen phosphate Formula: C77H127N4O16P MolecularWeight: 1395.823241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OC1C(C(C(C(C1OC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=[N+]=[N-])O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=[N+]=[N-])O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C77H127N4O16P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-46-54-66(83)79-63(68(84)64(82)53-45-34-32-30-28-16-14-12-10-8-6-4-2)58-94-98(89,90)97-76-72(88)70(86)69(85)71(87)75(76)96-77-67(80-81-78)74(93-57-62-51-43-38-44-52-62)73(92-56-61-49-41-37-42-50-61)65(95-77)59-91-55-60-47-39-36-40-48-60/h36-44,47-52,63-65,67-77,82,84-88H,3-35,45-46,53-59H2,1-2H3,(H,79,83)(H,89,90)/t63-,64+,65+,67+,68-,69+,70+,71-,72+,73+,74+,75+,76+,77+/m0/s1