3-dodecylsulfanyldecan-2-yloxy [5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl [oxidanyl(propoxy)phosphoryl] phosphate

Systemtic Name: 3-dodecylsulfanyldecan-2-yloxy [5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl [oxidanyl(propoxy)phosphoryl] phosphate Openeye Name: (2-dodecylsulfanyl-1-methyl-nonoxy) [hydroxy(propoxy)phosphoryl] [5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate CAS Name: phosphoric acid 3-(dodecylthio)decan-2-yloxy [hydroxy(propoxy)phosphoryl] [5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: 3-dodecylsulfanyldecan-2-yloxy [hydroxy(propoxy)phosphoryl] [5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate Traditional Name: phosphoric acid [hydroxy(propoxy)phosphoryl] [5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl [2-(laurylthio)-1-methyl-nonoxy] ester Formula: C35H64N4O10P2S MolecularWeight: 794.915982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(OCC1CCC(O1)N2C=NC3=C2NC=NC3=O)OP(=O)(O)OCCC

Isomeric SMILES

CCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(OCC1CCC(O1)N2C=NC3=C2NC=NC3=O)OP(=O)(O)OCCC

InChI

InChI=1S/C35H64N4O10P2S/c1-5-8-10-12-13-14-15-16-18-20-25-52-31(21-19-17-11-9-6-2)29(4)47-48-51(43,49-50(41,42)44-24-7-3)45-26-30-22-23-32(46-30)39-28-38-33-34(39)36-27-37-35(33)40/h27-32H,5-26H2,1-4H3,(H,41,42)(H,36,37,40)