sodium [2-(6-aminopurin-9-yl)-3-oxidanyl-propoxy]methyl-(3-hexadecoxypropoxy)phosphinate

Systemtic Name: sodium [2-(6-aminopurin-9-yl)-3-oxidanyl-propoxy]methyl-(3-hexadecoxypropoxy)phosphinate Openeye Name: sodium [2-(6-aminopurin-9-yl)-3-hydroxy-propoxy]methyl-(3-hexadecoxypropoxy)phosphinate CAS Name: sodium [2-(6-aminopurin-9-yl)-3-hydroxypropoxy]methyl-(3-hexadecoxypropoxy)phosphinate IUPAC Name: sodium [2-(6-aminopurin-9-yl)-3-hydroxypropoxy]methyl-(3-hexadecoxypropoxy)phosphinate Traditional Name: sodium (2-adenin-9-yl-3-hydroxy-propoxy)methyl-(3-cetyloxypropoxy)phosphinate Formula: C28H51N5NaO6P MolecularWeight: 607.697971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCC(CO)N1C=NC2=C1N=CN=C2N)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCC(CO)N1C=NC2=C1N=CN=C2N)[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)24-38-21-25(20-34)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