2-Amino-9-[(2R,4R)-2-(Hydroxymethyl)-1,3-Dioxolan-4-Yl]-3H-Purin-6-One
[CAS# 145514-01-8]

Identification

• Name: 2-Amino-9-[(2R,4R)-2-(Hydroxymethyl)-1,3-Dioxolan-4-Yl]-3H-Purin-6-One
• Synonyms: 2-Amino-9-[(2R,4R)-2-Methylol-1,3-Dioxolan-4-Yl]-3H-Purin-6-One; Aids005430; Dxg
• Molecular Formula: C₉H₁₁N₅O₄
• Molecular Weight: 253.22
• CAS Registry Number: 145514-01-8
• SMILES: [C@H]1(O[C@@H](OC1)CO)[N]2C3=C(N=C2)C(=O)N=C(N3)N
• InChI: 1S/C9H11N5O4/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-2-17-5(1-15)18-4/h3-5,15H,1-2H2,(H3,10,12,13,16)/t4-,5-/m1/s1
• InChIKey: DXNPMWVLIOKPNO-RFZPGFLSSA-N

Properties

• Density: 2.088g/cm³ (Cal.)
• Boiling point: 653.011°C at 760 mmHg (Cal.)
• Flash point: 348.729°C (Cal.)