sodium [(2S)-1-(6-aminopurin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate

Systemtic Name: sodium [(2S)-1-(6-aminopurin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate Openeye Name: sodium [(1S)-1-[(6-aminopurin-9-yl)methyl]-2-hydroxy-ethoxy]methyl-(2-octadecoxyethoxy)phosphinate CAS Name: sodium [(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate IUPAC Name: sodium [(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinate Traditional Name: sodium [(1S)-1-(adenin-9-ylmethyl)-2-hydroxy-ethoxy]methyl-(2-stearyloxyethoxy)phosphinate Formula: C29H53N5NaO6P MolecularWeight: 621.724551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCOP(=O)(COC(CN1C=NC2=C1N=CN=C2N)CO)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@@H](CN1C=NC2=C1N=CN=C2N)CO)[O-].[Na+]

InChI

InChI=1S/C29H54N5O6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-38-19-20-40-41(36,37)25-39-26(22-35)21-34-24-33-27-28(30)31-23-32-29(27)34;/h23-24,26,35H,2-22,25H2,1H3,(H,36,37)(H2,30,31,32);/q;+1/p-1/t26-;/m0./s1