sodium [(2S)-1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate

Systemtic Name: sodium [(2S)-1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate Openeye Name: sodium [(1S)-1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-octadecoxyethoxy)phosphinate CAS Name: sodium [(2S)-1-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate IUPAC Name: sodium [(2S)-1-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate Traditional Name: sodium [(1S)-1-[(2-amino-6-keto-3H-purin-9-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-stearyloxyethoxy)phosphinate Formula: C29H53N5NaO7P MolecularWeight: 637.723951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCOP(=O)(COC(CN1C=NC2=C1NC(=NC2=O)N)CO)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@@H](CN1C=NC2=C1NC(=NC2=O)N)CO)[O-].[Na+]

InChI

InChI=1S/C29H54N5O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-39-19-20-41-42(37,38)24-40-25(22-35)21-34-23-31-26-27(34)32-29(30)33-28(26)36;/h23,25,35H,2-22,24H2,1H3,(H,37,38)(H3,30,32,33,36);/q;+1/p-1/t25-;/m0./s1