sodium [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate

Systemtic Name: sodium [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate Openeye Name: sodium [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-octadecoxyethoxy)phosphinate CAS Name: sodium [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate IUPAC Name: sodium [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate Traditional Name: sodium [(1S)-1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-stearyloxyethoxy)phosphinate Formula: C28H53N3NaO7P MolecularWeight: 597.699851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCOP(=O)(COC(CN1C=CC(=NC1=O)N)CO)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)[O-].[Na+]

InChI

InChI=1S/C28H54N3O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36-21-22-38-39(34,35)25-37-26(24-32)23-31-19-18-27(29)30-28(31)33;/h18-19,26,32H,2-17,20-25H2,1H3,(H,34,35)(H2,29,30,33);/q;+1/p-1/t26-;/m0./s1