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

Systemtic Name: sodium [(2S)-1-(6-aminopurin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinate Openeye Name: sodium [(1S)-1-[(6-aminopurin-9-yl)methyl]-2-hydroxy-ethoxy]methyl-(3-hexadecoxypropoxy)phosphinate CAS Name: sodium [(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinate IUPAC Name: sodium [(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinate Traditional Name: sodium [(1S)-1-(adenin-9-ylmethyl)-2-hydroxy-ethoxy]methyl-(3-cetyloxypropoxy)phosphinate Formula: C28H51N5NaO6P MolecularWeight: 607.697971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52N5O6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-37-18-16-19-39-40(35,36)24-38-25(21-34)20-33-23-32-26-27(29)30-22-31-28(26)33;/h22-23,25,34H,2-21,24H2,1H3,(H,35,36)(H2,29,30,31);/q;+1/p-1/t25-;/m0./s1