[3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octadecyl hydrogen phosphate

Systemtic Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octadecyl hydrogen phosphate Openeye Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octadecyl hydrogen phosphate CAS Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octadecyl hydrogen phosphate IUPAC Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octadecyl hydrogen phosphate Traditional Name: (3-adenin-9-yl-2-methylol-cyclobutyl)methyl stearyl hydrogen phosphate Formula: C29H52N5O5P MolecularWeight: 581.727441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC1CC(C1CO)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC1CC(C1CO)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C29H52N5O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-38-40(36,37)39-21-24-19-26(25(24)20-35)34-23-33-27-28(30)31-22-32-29(27)34/h22-26,35H,2-21H2,1H3,(H,36,37)(H2,30,31,32)