calcium [(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] phosphate

Systemtic Name: calcium [(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] phosphate Openeye Name: calcium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-3-furyl] phosphate CAS Name: calcium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-3-furanyl] phosphate IUPAC Name: calcium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxofuran-3-yl] phosphate Traditional Name: calcium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-keto-3-furyl] phosphate Formula: C6H7CaO9P MolecularWeight: 294.166141

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C1C(=O)C(=C(O1)O)OP(=O)([O-])[O-])O)O.[Ca+2]

Isomeric SMILES

C([C@@H]([C@@H]1C(=O)C(=C(O1)O)OP(=O)([O-])[O-])O)O.[Ca+2]

InChI

InChI=1S/C6H9O9P.Ca/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-8,10H,1H2,(H2,11,12,13);/q;+2/p-2/t2-,4+;/m0./s1