8-Ketodeoxycoformycin
[CAS# 69196-03-8]

Identification

• Name: 8-Ketodeoxycoformycin
• Synonyms: 3-[(2S,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4,7-Dihydroimidazo[4,5-F][1,3]Diazepin-8-One; 3-[(2S,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-4,7-Dihydroimidazo[4,5-F][1,3]Diazepin-8-One; 3-[(2S,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-4,7-Dihydroimidazo[4,5-F][1,3]Diazepin-8-One
• Molecular Formula: C₁₁H₁₄N₄O₄
• Molecular Weight: 266.26
• CAS Registry Number: 69196-03-8
• SMILES: [C@@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C3=C(N=C2)C(=O)CN=CN3
• InChI: 1S/C11H14N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-6,8-9,16-17H,1-3H2,(H,12,13)/t6-,8+,9-/m0/s1
• InChIKey: PNAAOYLIDNSLKV-ZQARSLAVSA-N

Properties

• Density: 1.805g/cm³ (Cal.)
• Boiling point: 658.58°C at 760 mmHg (Cal.)
• Flash point: 352.097°C (Cal.)