methyl (1S,3S,4R,5R)-4-acetyloxy-3-(2-dimethoxyphosphorylethyl)-1-oxidanyl-5-(phenylmethoxymethoxy)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,3S,4R,5R)-4-acetyloxy-3-(2-dimethoxyphosphorylethyl)-1-oxidanyl-5-(phenylmethoxymethoxy)cyclohexane-1-carboxylate Openeye Name: methyl (1S,3R,4R,5S)-4-acetoxy-3-(benzyloxymethoxy)-5-(2-dimethoxyphosphorylethyl)-1-hydroxy-cyclohexanecarboxylate CAS Name: (1S,3S,4R,5R)-4-acetyloxy-3-(2-dimethoxyphosphorylethyl)-1-hydroxy-5-(phenylmethoxymethoxy)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3S,4R,5R)-4-acetyloxy-3-(2-dimethoxyphosphorylethyl)-1-hydroxy-5-(phenylmethoxymethoxy)cyclohexane-1-carboxylate Traditional Name: (1S,3R,4R,5S)-4-acetoxy-3-(benzoxymethoxy)-5-(2-dimethoxyphosphorylethyl)-1-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C22H33O10P MolecularWeight: 488.465181

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC(CC1OCOCC2=CC=CC=C2)(C(=O)OC)O)CCP(=O)(OC)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](C[C@](C[C@H]1OCOCC2=CC=CC=C2)(C(=O)OC)O)CCP(=O)(OC)OC

InChI

InChI=1S/C22H33O10P/c1-16(23)32-20-18(10-11-33(26,28-3)29-4)12-22(25,21(24)27-2)13-19(20)31-15-30-14-17-8-6-5-7-9-17/h5-9,18-20,25H,10-15H2,1-4H3/t18-,19-,20-,22+/m1/s1