2-Chloro-N-Cyclopentyl-2'-C-Methyladenosine
[CAS# 205171-12-6]

Identification

• Name: 2-Chloro-N-Cyclopentyl-2'-C-Methyladenosine
• Synonyms: (2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol; 2-Chloro-N-cyclopentyl-2'-methyladenosine
• Molecular Formula: C₁₆H₂₂ClN₅O₄
• Molecular Weight: 383.83
• CAS Registry Number: 205171-12-6
• SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)NC4CCCC4)CO)O)O
• InChI: 1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1
• InChIKey: MMPAUXMIDJWGFO-ROMFRFKVSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 643.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 342.9±34.3°C (Cal.)
• Refractive index: 1.777 (Cal.)
• solubility: Soluble to 25 mM in DMSO