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

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(3-hexadecoxy-2-phenylmethoxy-propoxy)phosphinic acid Openeye Name: [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-benzyloxy-3-hexadecoxy-propoxy)phosphinic acid CAS Name: [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxy-2-phenylmethoxypropoxy)phosphinic acid IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxy-2-phenylmethoxypropoxy)phosphinic acid Traditional Name: [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-benzoxy-3-cetyloxy-propoxy)phosphinic acid Formula: C34H58N3O8P MolecularWeight: 667.813381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H58N3O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-42-27-32(43-26-30-19-16-15-17-20-30)28-45-46(40,41)29-44-31(25-38)24-37-22-21-33(35)36-34(37)39/h15-17,19-22,31-32,38H,2-14,18,23-29H2,1H3,(H,40,41)(H2,35,36,39)/t31-,32?/m0/s1