3-Iodo-N(6)-4-Aminobenzyladenosine
[CAS# 95523-14-1]

Identification

• Name: 3-Iodo-N(6)-4-Aminobenzyladenosine
• Synonyms: (2R,3R,4S,5R)-2-[6-[(4-Amino-3-Iodo-Phenyl)Methylamino]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[(4-Amino-3-Iodophenyl)Methylamino]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[(4-Amino-3-Iodo-Be
• Molecular Formula: C₁₇H₁₉IN₆O₄
• Molecular Weight: 498.28
• CAS Registry Number: 95523-14-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]3C2=NC=NC(=C2N=C3)NCC4=CC(=C(N)C=C4)I
• InChI: 1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
• InChIKey: REGZQZHKIFOMRK-LSCFUAHRSA-N

Properties

• Density: 2.125g/cm³ (Cal.)
• Boiling point: 779.98°C at 760 mmHg (Cal.)
• Flash point: 425.517°C (Cal.)