2'-Deoxynebularine
[CAS# 4546-68-3]

Identification

• Name: 2'-Deoxynebularine
• Synonyms: (2R,3S,5R)-2-(Hydroxymethyl)-5-Purin-9-Yl-Tetrahydrofuran-3-Ol; (2R,3S,5R)-2-(Hydroxymethyl)-5-(9-Purinyl)-3-Tetrahydrofuranol; (2R,3S,5R)-2-Methylol-5-Purin-9-Yl-Tetrahydrofuran-3-Ol
• Molecular Formula: C₁₀H₁₂N₄O₃
• Molecular Weight: 236.23
• CAS Registry Number: 4546-68-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C3=C(N=C2)C=NC=N3
• InChI: 1S/C10H12N4O3/c15-3-8-7(16)1-9(17-8)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15-16H,1,3H2/t7-,8+,9+/m0/s1
• InChIKey: WJBNIBFTNGZFBW-DJLDLDEBSA-N

Properties

• Density: 1.762g/cm³ (Cal.)
• Boiling point: 542.713°C at 760 mmHg (Cal.)
• Flash point: 282.023°C (Cal.)