[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-octoxy-phosphinic acid

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-octoxy-phosphinic acid Openeye Name: [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-octoxy-phosphinic acid CAS Name: [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-octoxyphosphinic acid IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-octoxyphosphinic acid Traditional Name: [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-octoxy-phosphinic acid Formula: C16H30N3O6P MolecularWeight: 391.399661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O

Isomeric SMILES

CCCCCCCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O

InChI

InChI=1S/C16H30N3O6P/c1-2-3-4-5-6-7-10-25-26(22,23)13-24-14(12-20)11-19-9-8-15(17)18-16(19)21/h8-9,14,20H,2-7,10-13H2,1H3,(H,22,23)(H2,17,18,21)/t14-/m0/s1