[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid; phosphonomethanoic acid

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid; phosphonomethanoic acid Openeye Name: [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid; phosphonoformic acid CAS Name: [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid; phosphonoformic acid IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid; phosphonoformic acid Traditional Name: [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid; phosphonoformic acid Formula: C9H17N3O11P2 MolecularWeight: 405.192302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.C(=O)(O)P(=O)(O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O.C(=O)(O)P(=O)(O)O

InChI

InChI=1S/C8H14N3O6P.CH3O5P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;2-1(3)7(4,5)6/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);(H,2,3)(H2,4,5,6)/t6-;/m0./s1