[(1R,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis[bis(phenylmethoxy)phosphoryloxy]-6-methoxy-cyclohexyl] butanoate

Systemtic Name: [(1R,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis[bis(phenylmethoxy)phosphoryloxy]-6-methoxy-cyclohexyl] butanoate Openeye Name: [(1R,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis(dibenzyloxyphosphoryloxy)-6-methoxy-cyclohexyl] butanoate CAS Name: butanoic acid [(1R,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis[bis(phenylmethoxy)phosphoryloxy]-6-methoxycyclohexyl] ester IUPAC Name: [(1R,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis[bis(phenylmethoxy)phosphoryloxy]-6-methoxycyclohexyl] butanoate Traditional Name: butyric acid [(1R,2S,3R,4R,5S,6S)-2,3,4,5-tetrakis(dibenzoxyphosphoryloxy)-6-methoxy-cyclohexyl] ester Formula: C67H72O19P4 MolecularWeight: 1305.172224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(C(C(C(C1OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OP(=O)(OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC

Isomeric SMILES

CCCC(=O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OP(=O)(OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC

InChI

InChI=1S/C67H72O19P4/c1-3-28-61(68)82-63-62(73-2)64(83-87(69,74-45-53-29-12-4-13-30-53)75-46-54-31-14-5-15-32-54)66(85-89(71,78-49-57-37-20-8-21-38-57)79-50-58-39-22-9-23-40-58)67(86-90(72,80-51-59-41-24-10-25-42-59)81-52-60-43-26-11-27-44-60)65(63)84-88(70,76-47-55-33-16-6-17-34-55)77-48-56-35-18-7-19-36-56/h4-27,29-44,62-67H,3,28,45-52H2,1-2H3/t62-,63+,64-,65-,66+,67+/m0/s1