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

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-docosoxy-phosphinic acid Openeye Name: [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-docosoxy-phosphinic acid CAS Name: [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-docosoxyphosphinic acid IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-docosoxyphosphinic acid Traditional Name: [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-behenyloxy-phosphinic acid Formula: C30H58N3O6P MolecularWeight: 587.771781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58N3O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-39-40(36,37)27-38-28(26-34)25-33-23-22-29(31)32-30(33)35/h22-23,28,34H,2-21,24-27H2,1H3,(H,36,37)(H2,31,32,35)/t28-/m0/s1