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

Systemtic Name: sodium [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-cyano-3-oxidanyl-oxolan-2-yl]methyl 2,3-di(octadecanoyloxy)propyl phosphate Openeye Name: sodium [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methyl 2,3-di(octadecanoyloxy)propyl phosphate CAS Name: sodium [5-(4-amino-2-oxo-1-pyrimidinyl)-4-cyano-3-hydroxy-2-oxolanyl]methyl 2,3-bis(1-oxooctadecoxy)propyl phosphate IUPAC Name: sodium [5-(4-amino-2-oxopyrimidin-1-yl)-4-cyano-3-hydroxyoxolan-2-yl]methyl 2,3-di(octadecanoyloxy)propyl phosphate Traditional Name: sodium [5-(4-amino-2-keto-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methyl 2,3-distearoyloxypropyl phosphate Formula: C49H86N4NaO11P MolecularWeight: 961.190871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H87N4O11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)60-38-41(63-46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-61-65(58,59)62-40-43-47(56)42(37-50)48(64-43)53-36-35-44(51)52-49(53)57;/h35-36,41-43,47-48,56H,3-34,38-40H2,1-2H3,(H,58,59)(H2,51,52,57);/q;+1/p-1