4-Amino-1-{5-O-[(3-carboxypropoxy)(hydroxy)phosphoryl]-D-arabinofuranosyl}-2(1H)-pyrimidinone
[CAS# 89142-98-3]

Identification

• Name: 4-Amino-1-{5-O-[(3-carboxypropoxy)(hydroxy)phosphoryl]-D-arabinofuranosyl}-2(1H)-pyrimidinone
• Synonyms: 2(1H)-Pyrimidinone, 4-amino-1-(5-O-((3-carboxypropoxy)hydroxyphosphinyl)-β-D-arabinofuranosyl)-; 4-Amino-1-(5-O-((3-carboxypropoxy)hydroxyphosphinyl)-β-D-arabinofuranosyl)-2(1H)-pyrimidinone; Ara-C 5'-carboxypropylphosphate
• Molecular Formula: C₁₃H₂₀N₃O₁₀P
• Molecular Weight: 409.29
• CAS Registry Number: 89142-98-3
• SMILES: O=P(OCCCC(=O)O)(O)OC[C@H]2OC(N/1C(=O)/N=C(/N)\C=C\1)[C@@H](O)[C@@H]2O
• InChI: 1S/C13H20N3O10P/c14-8-3-4-16(13(21)15-8)12-11(20)10(19)7(26-12)6-25-27(22,23)24-5-1-2-9(17)18/h3-4,7,10-12,19-20H,1-2,5-6H2,(H,17,18)(H,22,23)(H2,14,15,21)/t7-,10-,11+,12?/m1/s1
• InChIKey: VDDNHRUWCIDRKL-FBWFMTOQSA-N

Properties

• Density: 1.878g/cm³ (Cal.)
• Boiling point: 733.441°C at 760 mmHg (Cal.)
• Flash point: 397.371°C (Cal.)