[(2R,3R,5S,6R)-2-methyl-4-oxidanylidene-5-(phenylcarbonyloxy)-6-phosphonooxy-oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,5S,6R)-2-methyl-4-oxidanylidene-5-(phenylcarbonyloxy)-6-phosphonooxy-oxan-3-yl] benzoate Openeye Name: [(2R,3R,5S,6R)-5-benzoyloxy-2-methyl-4-oxo-6-phosphonooxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,5S,6R)-5-benzoyloxy-2-methyl-4-oxo-6-phosphonooxy-3-oxanyl] ester IUPAC Name: [(2R,3R,5S,6R)-5-benzoyloxy-2-methyl-4-oxo-6-phosphonooxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,5S,6R)-5-benzoyloxy-4-keto-2-methyl-6-phosphonooxy-tetrahydropyran-3-yl] ester Formula: C20H19O10P MolecularWeight: 450.332621

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C(C(O1)OP(=O)(O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H](C(=O)[C@H]([C@H](O1)OP(=O)(O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19O10P/c1-12-16(28-18(22)13-8-4-2-5-9-13)15(21)17(20(27-12)30-31(24,25)26)29-19(23)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3,(H2,24,25,26)/t12-,16-,17-,20-/m1/s1