sodium [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-cyano-3-oxidanyl-oxolan-2-yl]methyl 2,3-di(tetradecanoyloxy)propyl phosphate

Systemtic Name: sodium [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-cyano-3-oxidanyl-oxolan-2-yl]methyl 2,3-di(tetradecanoyloxy)propyl phosphate Openeye Name: sodium [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methyl 2,3-di(tetradecanoyloxy)propyl phosphate CAS Name: sodium [5-(4-amino-2-oxo-1-pyrimidinyl)-4-cyano-3-hydroxy-2-oxolanyl]methyl 2,3-bis(1-oxotetradecoxy)propyl phosphate IUPAC Name: sodium [5-(4-amino-2-oxopyrimidin-1-yl)-4-cyano-3-hydroxyoxolan-2-yl]methyl 2,3-di(tetradecanoyloxy)propyl phosphate Traditional Name: sodium [5-(4-amino-2-keto-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methyl 2,3-di(tetradecanoyloxy)propyl phosphate Formula: C41H70N4NaO11P MolecularWeight: 848.978231

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=NC2=O)N)C#N)O)OC(=O)CCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=NC2=O)N)C#N)O)OC(=O)CCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C41H71N4O11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-37(46)52-30-33(55-38(47)26-24-22-20-18-16-14-12-10-8-6-4-2)31-53-57(50,51)54-32-35-39(48)34(29-42)40(56-35)45-28-27-36(43)44-41(45)49;/h27-28,33-35,39-40,48H,3-26,30-32H2,1-2H3,(H,50,51)(H2,43,44,49);/q;+1/p-1