[(1S,2S,3S,4S,5S,6R)-2-bis(phenylmethoxy)phosphinothioyloxy-4,6-bis[bis(phenylmethoxy)phosphoryloxy]-5-phenylmethoxy-3-(phenylmethoxymethoxy)cyclohexyl] bis(phenylmethyl) phosphate

Systemtic Name: [(1S,2S,3S,4S,5S,6R)-2-bis(phenylmethoxy)phosphinothioyloxy-4,6-bis[bis(phenylmethoxy)phosphoryloxy]-5-phenylmethoxy-3-(phenylmethoxymethoxy)cyclohexyl] bis(phenylmethyl) phosphate Openeye Name: dibenzyl [(1R,2S,3S,4S,5S,6S)-2-benzyloxy-4-(benzyloxymethoxy)-5-dibenzyloxyphosphinothioyloxy-3,6-bis(dibenzyloxyphosphoryloxy)cyclohexyl] phosphate CAS Name: phosphoric acid [(1S,2S,3S,4S,5S,6R)-2-bis(phenylmethoxy)phosphinothioyloxy-4,6-bis[bis(phenylmethoxy)phosphoryloxy]-5-phenylmethoxy-3-(phenylmethoxymethoxy)cyclohexyl] bis(phenylmethyl) ester IUPAC Name: dibenzyl [(1S,2S,3S,4S,5S,6R)-2-bis(phenylmethoxy)phosphinothioyloxy-4,6-bis[bis(phenylmethoxy)phosphoryloxy]-5-phenylmethoxy-3-(phenylmethoxymethoxy)cyclohexyl] phosphate Traditional Name: phosphoric acid [(1R,2S,3S,4S,5S,6S)-2-benzoxy-4-(benzoxymethoxy)-3,6-bis(dibenzoxyphosphoryloxy)-5-dibenzoxythiophosphoryloxy-cyclohexyl] dibenzyl ester Formula: C77H78O18P4S MolecularWeight: 1447.392464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCOC2C(C(C(C(C2OP(=S)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6)OP(=O)(OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)COCO[C@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2OP(=S)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6)OP(=O)(OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C77H78O18P4S/c78-96(84-53-64-35-15-3-16-36-64,85-54-65-37-17-4-18-38-65)92-74-72(82-52-63-33-13-2-14-34-63)75(93-97(79,86-55-66-39-19-5-20-40-66)87-56-67-41-21-6-22-42-67)77(94-98(80,88-57-68-43-23-7-24-44-68)89-58-69-45-25-8-26-46-69)76(73(74)83-61-81-51-62-31-11-1-12-32-62)95-99(100,90-59-70-47-27-9-28-48-70)91-60-71-49-29-10-30-50-71/h1-50,72-77H,51-61H2/t72-,73-,74-,75+,76-,77-/m0/s1