7-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(Iodomethyl)Oxolan-2-Yl]-1,5-Dihydropyrrolo[2,3-e]Pyrimidin-4-One
[CAS# 102731-46-4]

Identification

• Name: 7-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(Iodomethyl)Oxolan-2-Yl]-1,5-Dihydropyrrolo[2,3-e]Pyrimidin-4-One
• Synonyms: 7-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(Iodomethyl)Tetrahydrofuran-2-Yl]-1,5-Dihydropyrrolo[2,3-E]Pyrimidin-4-One; 7-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(Iodomethyl)-2-Tetrahydrofuranyl]-1,5-Dihydropyrrolo[2,3-E]Pyrimidin-4-One; 5'-Deoxy-5'-Iodo-9-Deazainosine
• Molecular Formula: C₁₁H₁₂IN₃O₄
• Molecular Weight: 377.14
• CAS Registry Number: 102731-46-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CI)C2=C[NH]C3=C2NC=NC3=O
• InChI: 1S/C11H12IN3O4/c12-1-5-8(16)9(17)10(19-5)4-2-13-7-6(4)14-3-15-11(7)18/h2-3,5,8-10,13,16-17H,1H2,(H,14,15,18)/t5-,8-,9-,10+/m1/s1
• InChIKey: FKFBWNDSWWYBKW-KBHCAIDQSA-N

Properties

• Density: 2.444g/cm³ (Cal.)
• Boiling point: 634.867°C at 760 mmHg (Cal.)
• Flash point: 337.756°C (Cal.)