5'-Chloro-5'-Deoxy-9-Deazaadenosine
[CAS# 67377-77-9]

Identification

• Name: 5'-Chloro-5'-Deoxy-9-Deazaadenosine
• Synonyms: (2R,3R,4S,5S)-2-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-5-(Chloromethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5S)-2-(4-Amino-1-Imidazo[4,5-C]Pyridinyl)-5-(Chloromethyl)Tetrahydrofuran-3,4-Diol; 1H-Imidazo(4,5-C)Pyridin-4-Amine, 1-(5-Chloro-5-Deoxy-Beta-D-Ribofuranosyl)-
• Molecular Formula: C₁₁H₁₃ClN₄O₃
• Molecular Weight: 284.70
• CAS Registry Number: 67377-77-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CCl)[N]2C3=C(N=C2)C(=NC=C3)N
• InChI: 1S/C11H13ClN4O3/c12-3-6-8(17)9(18)11(19-6)16-4-15-7-5(16)1-2-14-10(7)13/h1-2,4,6,8-9,11,17-18H,3H2,(H2,13,14)/t6-,8-,9-,11-/m1/s1
• InChIKey: CJJZUWOUNMHMSS-PNHWDRBUSA-N

Properties

• Density: 1.878g/cm³ (Cal.)
• Boiling point: 636.94°C at 760 mmHg (Cal.)
• Flash point: 339.01°C (Cal.)