5'-Deoxy-5'-Iodo-2',3'-O-Isopropylideneadenosine
[CAS# 30685-66-6]

Identification

• Name: 5'-Deoxy-5'-Iodo-2',3'-O-Isopropylideneadenosine
• Synonyms: 5'-Deoxy-2',3'-O-isopropylidene-5'-iodo-adenosine; 5'-Deoxy-5'-iodo-2',3'-O-isopropylideneadenosine; Nucleocidin, 2',3'-i-Pr analog
• Molecular Formula: C₁₃H₁₆IN₅O₃
• Molecular Weight: 417.20
• CAS Registry Number: 30685-66-6
• SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CI)C
• InChI: 1S/C13H16IN5O3/c1-13(2)21-8-6(3-14)20-12(9(8)22-13)19-5-18-7-10(15)16-4-17-11(7)19/h4-6,8-9,12H,3H2,1-2H3,(H2,15,16,17)/t6-,8-,9-,12-/m1/s1
• InChIKey: DPEHZPBZYGVHMH-WOUKDFQISA-N

Properties

• Density: 2.2±0.1g/cm³ (Cal.)
• Boiling point: 582.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 306.0±32.9°C (Cal.)