Sodium 4-amino-1-(5-O-{[(2R)-2,3-bis(palmitoyloxy)propoxy]phosphinato}-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
[CAS# 83208-25-7]

Identification

• Name: Sodium 4-amino-1-(5-O-{[(2R)-2,3-bis(palmitoyloxy)propoxy]phosphinato}-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
• Synonyms: 1-β D-Arabinofuranosylcytosine 5'-monophosphate-L-1,2-dipalmitin; 2(1H)-Pyrimidinone, 4-amino-1-(5-O-((2,3-bis((1-oxohexadecyl)oxy)propoxy)hydroxyphosphinyl)-β-D-arabinofuranosyl)-, monosodium salt, (R)-
• Molecular Formula: C₄₄H₇₉N₃NaO₁₂P
• Molecular Weight: 896.07
• CAS Registry Number: 83208-25-7
• SMILES: [Na+].O=C(OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OC[C@H]2O[C@@H](N/1C(=O)/N=C(/N)\C=C\1)[C@@H](O)[C@@H]2O)CCCCCCCCCCCCCCC
• InChI: 1S/C44H80N3O12P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)55-33-36(58-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-56-60(53,54)57-35-37-41(50)42(51)43(59-37)47-32-31-38(45)46-44(47)52;/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H2,45,46,52);/q;+1/p-1/t36-,37-,41-,42+,43-;/m1./s1
• InChIKey: POWTWEXJCZXSGV-CGQIQFRJSA-M

Properties

• Boiling point: 896.1°C at 760 mmHg (Cal.)
• Flash point: 495.7°C (Cal.)