(1S,2R,5R)-5-(6-Chloropurin-9-Yl)-3-(Hydroxymethyl)Cyclopent-3-Ene-1,2-Diol
[CAS# 103232-24-2]

Identification

• Name: (1S,2R,5R)-5-(6-Chloropurin-9-Yl)-3-(Hydroxymethyl)Cyclopent-3-Ene-1,2-Diol
• Synonyms: (1S,2R,5R)-5-(6-Chloro-9-Purinyl)-3-(Hydroxymethyl)Cyclopent-3-Ene-1,2-Diol; (1S,2R,5R)-5-(6-Chloropurin-9-Yl)-3-Methylol-Cyclopent-3-Ene-1,2-Diol; 3-Cyclopentene-1,2-Diol, 5-(6-Chloro-9H-Purin-9-Yl)-3-(Hydroxymethyl)-, (1S-(1Alpha,2Alpha,5Beta))-
• Molecular Formula: C₁₁H₁₁ClN₄O₃
• Molecular Weight: 282.69
• CAS Registry Number: 103232-24-2
• SMILES: [C@H]3([N]1C2=C(N=C1)C(=NC=N2)Cl)[C@H](O)[C@H](O)C(=C3)CO
• InChI: 1S/C11H11ClN4O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2/t6-,8-,9+/m1/s1
• InChIKey: QHILTTBFPUOZHJ-VDAHYXPESA-N

Properties

• Density: 1.881g/cm³ (Cal.)
• Boiling point: 576.624°C at 760 mmHg (Cal.)
• Flash point: 302.532°C (Cal.)