sodium [(2R)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-1-oxidanyl-4-oxidanylidene-butan-2-yl]oxymethylphosphonic acid

Systemtic Name: sodium [(2R)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-1-oxidanyl-4-oxidanylidene-butan-2-yl]oxymethylphosphonic acid Openeye Name: sodium [(1R)-3-(2,4-dioxopyrimidin-1-yl)-1-(hydroxymethyl)-3-oxo-propoxy]methylphosphonic acid CAS Name: sodium [(2R)-4-(2,4-dioxo-1-pyrimidinyl)-1-hydroxy-4-oxobutan-2-yl]oxymethylphosphonic acid IUPAC Name: sodium [(2R)-4-(2,4-dioxopyrimidin-1-yl)-1-hydroxy-4-oxobutan-2-yl]oxymethylphosphonic acid Traditional Name: sodium [(1R)-3-(2,4-diketopyrimidin-1-yl)-3-keto-1-methylol-propoxy]methylphosphonic acid Formula: C18H26N4NaO16P2+ MolecularWeight: 639.353532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C(=O)CC(CO)OCP(=O)(O)O.C1=CN(C(=O)NC1=O)C(=O)CC(CO)OCP(=O)(O)O.[Na+]

Isomeric SMILES

C1=CN(C(=O)NC1=O)C(=O)C[C@H](CO)OCP(=O)(O)O.C1=CN(C(=O)NC1=O)C(=O)C[C@H](CO)OCP(=O)(O)O.[Na+]

InChI

InChI=1S/2C9H13N2O8P.Na/c2*12-4-6(19-5-20(16,17)18)3-8(14)11-2-1-7(13)10-9(11)15;/h2*1-2,6,12H,3-5H2,(H,10,13,15)(H2,16,17,18);/q;;+1/t2*6-;/m11./s1