4-(hydroxymethyl)-2,4-bis(oxidanyl)-2,5-diphosphonatooxy-pentanoate

Systemtic Name: 4-(hydroxymethyl)-2,4-bis(oxidanyl)-2,5-diphosphonatooxy-pentanoate Openeye Name: 2,4-dihydroxy-4-(hydroxymethyl)-2,5-diphosphonatooxy-pentanoate CAS Name: 2,4-dihydroxy-4-(hydroxymethyl)-2,5-diphosphonatooxypentanoate IUPAC Name: 2,4-dihydroxy-4-(hydroxymethyl)-2,5-diphosphonatooxypentanoate Traditional Name: 2,4-dihydroxy-4-methylol-2,5-diphosphato-valerate Formula: C6H9O13P2-5 MolecularWeight: 351.075382

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)(COP(=O)([O-])[O-])O)C(C(=O)[O-])(O)OP(=O)([O-])[O-]

Isomeric SMILES

C(C(CO)(COP(=O)([O-])[O-])O)C(C(=O)[O-])(O)OP(=O)([O-])[O-]

InChI

InChI=1S/C6H14O13P2/c7-2-5(10,3-18-20(12,13)14)1-6(11,4(8)9)19-21(15,16)17/h7,10-11H,1-3H2,(H,8,9)(H2,12,13,14)(H2,15,16,17)/p-5