methyl (1R,3R,4S,5R)-1,3,4-triacetyloxy-5-phosphonooxy-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,3R,4S,5R)-1,3,4-triacetyloxy-5-phosphonooxy-cyclohexane-1-carboxylate Openeye Name: methyl (1R,3R,4S,5R)-1,3,4-triacetoxy-5-phosphonooxy-cyclohexanecarboxylate CAS Name: (1R,3R,4S,5R)-1,3,4-triacetyloxy-5-phosphonooxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3R,4S,5R)-1,3,4-triacetyloxy-5-phosphonooxycyclohexane-1-carboxylate Traditional Name: (1R,3R,4S,5R)-1,3,4-triacetoxy-5-phosphonooxy-cyclohexanecarboxylic acid methyl ester Formula: C14H21O12P MolecularWeight: 412.283101

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC(C1OC(=O)C)OP(=O)(O)O)(C(=O)OC)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21O12P/c1-7(15)23-10-5-14(13(18)22-4,25-9(3)17)6-11(26-27(19,20)21)12(10)24-8(2)16/h10-12H,5-6H2,1-4H3,(H2,19,20,21)/t10-,11-,12+,14-/m1/s1