[(3aS,4R,5R,7S,7aS)-4-bis(phenylmethoxy)phosphoryloxy-7-(diethoxyphosphorylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-yl] bis(phenylmethyl) phosphate

Systemtic Name: [(3aS,4R,5R,7S,7aS)-4-bis(phenylmethoxy)phosphoryloxy-7-(diethoxyphosphorylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-yl] bis(phenylmethyl) phosphate Openeye Name: [(3aS,4R,5R,7S,7aS)-4-dibenzyloxyphosphoryloxy-7-(diethoxyphosphorylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-yl] dibenzyl phosphate CAS Name: phosphoric acid [(3aS,4R,5R,7S,7aS)-4-bis(phenylmethoxy)phosphoryloxy-7-(diethoxyphosphorylmethyl)-5-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]yl] bis(phenylmethyl) ester IUPAC Name: [(3aS,4R,5R,7S,7aS)-4-bis(phenylmethoxy)phosphoryloxy-7-(diethoxyphosphorylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-yl] dibenzyl phosphate Traditional Name: phosphoric acid [(3aS,4R,5R,7S,7aS)-4-dibenzoxyphosphoryloxy-7-(diethoxyphosphorylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-yl] dibenzyl ester Formula: C45H57O13P3 MolecularWeight: 898.847563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1CC(C(C2C1OC3(O2)CCCCC3)OP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC

Isomeric SMILES

CCOP(=O)(C[C@H]1C[C@H]([C@@H]([C@@H]2[C@H]1OC3(O2)CCCCC3)OP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC

InChI

InChI=1S/C45H57O13P3/c1-3-49-59(46,50-4-2)35-40-30-41(57-60(47,51-31-36-20-10-5-11-21-36)52-32-37-22-12-6-13-23-37)43(44-42(40)55-45(56-44)28-18-9-19-29-45)58-61(48,53-33-38-24-14-7-15-25-38)54-34-39-26-16-8-17-27-39/h5-8,10-17,20-27,40-44H,3-4,9,18-19,28-35H2,1-2H3/t40-,41-,42+,43+,44+/m1/s1