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

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(3-icosoxypropoxy)phosphinic acid Openeye Name: [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(3-icosoxypropoxy)phosphinic acid CAS Name: [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-(3-eicosoxypropoxy)phosphinic acid IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-icosoxypropoxy)phosphinic acid Traditional Name: [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(3-arachyloxypropoxy)phosphinic acid Formula: C31H60N3O7P MolecularWeight: 617.797761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-24-20-25-41-42(37,38)28-40-29(27-35)26-34-22-21-30(32)33-31(34)36/h21-22,29,35H,2-20,23-28H2,1H3,(H,37,38)(H2,32,33,36)/t29-/m0/s1