[2-(6-aminopurin-9-yl)ethoxymethyl-(hexacosanoyloxymethoxy)phosphoryl]oxymethyl hexacosanoate

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(hexacosanoyloxymethoxy)phosphoryl]oxymethyl hexacosanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(hexacosanoyloxymethoxy)phosphoryl]oxymethyl hexacosanoate CAS Name: hexacosanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-(1-oxohexacosoxymethoxy)phosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(hexacosanoyloxymethoxy)phosphoryl]oxymethyl hexacosanoate Traditional Name: cerotic acid [2-adenin-9-ylethoxymethyl(hexacosanoyloxymethoxy)phosphoryl]oxymethyl ester Formula: C62H116N5O8P MolecularWeight: 1090.586901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C62H116N5O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-58(68)72-55-74-76(70,57-71-52-51-67-54-66-60-61(63)64-53-65-62(60)67)75-56-73-59(69)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h53-54H,3-52,55-57H2,1-2H3,(H2,63,64,65)