Carbocyclic 3-Deazaadenosine
[CAS# 81601-33-4]

Identification

• Name: Carbocyclic 3-Deazaadenosine
• Synonyms: (1S,2R,3S,5S)-3-(4-Amino-1-Imidazo[4,5-C]Pyridinyl)-5-(Hydroxymethyl)Cyclopentane-1,2-Diol; (1S,2R,3S,5S)-3-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-5-Methylol-Cyclopentane-1,2-Diol; 1,2-Cyclopentanediol, 3-(4-Amino-1H-Imidazo(4,5-C)Pyridin-1-Yl)-5-(Hydroxymethyl)-, (1Alpha,2Alpha,3Beta,5Beta)-(+-)-
• Molecular Formula: C₁₂H₁₆N₄O₃
• Molecular Weight: 264.28
• CAS Registry Number: 81601-33-4
• SMILES: [C@H]1([C@@H]([C@H](C[C@H]1CO)[N]3C2=C(C(=NC=C2)N)N=C3)O)O
• InChI: 1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m0/s1
• InChIKey: XNJHAZWZQGXOSC-SCFXILDESA-N

Properties

• Density: 1.772g/cm³ (Cal.)
• Boiling point: 588.444°C at 760 mmHg (Cal.)
• Flash point: 309.68°C (Cal.)