2-Iodo-9-[(3xi)-2,3-O-Isopropylidene-beta-D-Threo-Pentofuranosyl]-9H-Purin-6-Amine
[CAS# 141018-25-9]

Identification

• Name: 2-Iodo-9-[(3xi)-2,3-O-Isopropylidene-beta-D-Threo-Pentofuranosyl]-9H-Purin-6-Amine
• Synonyms: 2-Iodo Adenosine 2',3'-Acetonide
• Molecular Formula: C₁₃H₁₆IN₅O₄
• Molecular Weight: 433.20
• CAS Registry Number: 141018-25-9
• SMILES: CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3nc(nc4N)I)C
• InChI: 1S/C13H16IN5O4/c1-13(2)22-7-5(3-20)21-11(8(7)23-13)19-4-16-6-9(15)17-12(14)18-10(6)19/h4-5,7-8,11,20H,3H2,1-2H3,(H2,15,17,18)/t5-,7?,8+,11-/m1/s1
• InChIKey: KNWSBURSUIDKHK-DWVWSIQXSA-N

Properties

• Density: 2.31g/cm³ (Cal.)
• Boiling point: 664.972°C at 760 mmHg (Cal.)
• Flash point: 355.963°C (Cal.)
• Refractive index: 1.869 (Cal.)