3-(2,6-Diaminopurin-9-Yl)-5-(Hydroxymethyl)Cyclopentane-1,2-Diol
[CAS# 125073-27-0]

Identification

• Name: 3-(2,6-Diaminopurin-9-Yl)-5-(Hydroxymethyl)Cyclopentane-1,2-Diol
• Synonyms: 3-(2,6-Diamino-9-Purinyl)-5-(Hydroxymethyl)Cyclopentane-1,2-Diol; 3-(2,6-Diaminopurin-9-Yl)-5-Methylol-Cyclopentane-1,2-Diol; Carbocyclic Ara-Dap
• Molecular Formula: C₁₁H₁₆N₆O₃
• Molecular Weight: 280.29
• CAS Registry Number: 125073-27-0
• SMILES: C2=NC1=C(N)N=C(N=C1[N]2C3C(C(O)C(C3)CO)O)N
• InChI: 1S/C11H16N6O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H4,12,13,15,16)
• InChIKey: ZLJQBJBJBIATTP-UHFFFAOYSA-N

Properties

• Density: 2.083g/cm³ (Cal.)
• Boiling point: 705.028°C at 760 mmHg (Cal.)
• Flash point: 380.188°C (Cal.)