(2R,3R,4S,5R)-2-[6-Amino-2-[2-(4-Amino-3-Iodophenyl)Ethylamino]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 161536-31-8]

Identification

• Name: (2R,3R,4S,5R)-2-[6-Amino-2-[2-(4-Amino-3-Iodophenyl)Ethylamino]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: (2R,3R,4S,5R)-2-[6-Amino-2-[2-(4-Amino-3-Iodo-Phenyl)Ethylamino]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-Amino-2-[2-(4-Amino-3-Iodophenyl)Ethylamino]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-Amino-2-[2-(4-Amino-3-Iodo-Phenyl)Ethylamino]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₈H₂₂IN₇O₄
• Molecular Weight: 527.32
• CAS Registry Number: 161536-31-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC(=N3)NCCC4=CC(=C(N)C=C4)I)N
• InChI: 1S/C18H22IN7O4/c19-9-5-8(1-2-10(9)20)3-4-22-18-24-15(21)12-16(25-18)26(7-23-12)17-14(29)13(28)11(6-27)30-17/h1-2,5,7,11,13-14,17,27-29H,3-4,6,20H2,(H3,21,22,24,25)/t11-,13-,14-,17-/m1/s1
• InChIKey: AFFIAFORFZHTLX-LSCFUAHRSA-N

Properties

• Density: 2.133g/cm³ (Cal.)
• Boiling point: 856.91°C at 760 mmHg (Cal.)
• Flash point: 472.042°C (Cal.)