3-(2-Deoxy-alpha-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one
[CAS# 87171-83-3]

Identification

• Name: 3-(2-Deoxy-alpha-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one
• Synonyms: 3-(2'-Deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one; M(1)G-deoxyribose; M1G-dR
• Molecular Formula: C₁₃H₁₃N₅O₄
• Molecular Weight: 303.27
• CAS Registry Number: 87171-83-3
• SMILES: O=C2c3ncn(c3\N=C1\N=C/C=C\N12)[C@H]4O[C@@H]([C@@H](O)C4)CO
• InChI: 1S/C13H13N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h1-3,6-9,19-20H,4-5H2/t7-,8+,9-/m0/s1
• InChIKey: QZDHOBJINVXQCJ-YIZRAAEISA-N

Properties

• Density: 1.873g/cm³ (Cal.)
• Boiling point: 718.612°C at 760 mmHg (Cal.)
• Flash point: 388.403°C (Cal.)