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

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid hydrate Openeye Name: [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid hydrate CAS Name: [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid hydrate IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid hydrate Traditional Name: [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid hydrate Formula: C8H16N3O7P MolecularWeight: 297.202301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N3O6P.H2O/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);1H2/t6-;/m0./s1