[(1R,2R)-2-oxidanyl-3,6-diphosphonatooxy-cyclohexyl] phosphate

Systemtic Name: [(1R,2R)-2-oxidanyl-3,6-diphosphonatooxy-cyclohexyl] phosphate Openeye Name: [(1R,2R)-2-hydroxy-3,6-diphosphonatooxy-cyclohexyl] phosphate CAS Name: [(1R,2R)-2-hydroxy-3,6-diphosphonatooxycyclohexyl] phosphate IUPAC Name: [(1R,2R)-2-hydroxy-3,6-diphosphonatooxycyclohexyl] phosphate Traditional Name: [(1R,2R)-2-hydroxy-3,6-diphosphato-cyclohexyl] phosphate Formula: C6H9O13P3-6 MolecularWeight: 382.049143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-]

Isomeric SMILES

C1CC([C@@H]([C@@H](C1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-]

InChI

InChI=1S/C6H15O13P3/c7-5-3(17-20(8,9)10)1-2-4(18-21(11,12)13)6(5)19-22(14,15)16/h3-7H,1-2H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)/p-6/t3?,4?,5-,6+/m1/s1