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

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(3-octadecoxy-2-phenylmethoxy-propoxy)phosphinic acid Openeye Name: [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-benzyloxy-3-octadecoxy-propoxy)phosphinic acid CAS Name: [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-octadecoxy-2-phenylmethoxypropoxy)phosphinic acid Traditional Name: [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-benzoxy-3-stearyloxy-propoxy)phosphinic acid Formula: C36H62N3O8P MolecularWeight: 695.866541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O)OCC2=CC=CC=C2

InChI

InChI=1S/C36H62N3O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-44-29-34(45-28-32-21-18-17-19-22-32)30-47-48(42,43)31-46-33(27-40)26-39-24-23-35(37)38-36(39)41/h17-19,21-24,33-34,40H,2-16,20,25-31H2,1H3,(H,42,43)(H2,37,38,41)/t33-,34?/m0/s1