(2S,3R,4S,5R)-2-[6-[2-(4-Amino-3-Iodophenyl)Ethylamino]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 105834-00-2]

Identification

• Name: (2S,3R,4S,5R)-2-[6-[2-(4-Amino-3-Iodophenyl)Ethylamino]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: (2S,3R,4S,5R)-2-[6-[2-(4-Amino-3-Iodo-Phenyl)Ethylamino]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2S,3R,4S,5R)-2-[6-[2-(4-Amino-3-Iodophenyl)Ethylamino]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2S,3R,4S,5R)-2-[6-[2-(4-Amino-3-Iodo-Phenyl)Ethylamino]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₈H₂₁IN₆O₄
• Molecular Weight: 512.31
• CAS Registry Number: 105834-00-2
• 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
• InChI: 1S/C18H21IN6O4/c19-10-5-9(1-2-11(10)20)3-4-21-16-13-17(23-7-22-16)25(8-24-13)18-15(28)14(27)12(6-26)29-18/h1-2,5,7-8,12,14-15,18,26-28H,3-4,6,20H2,(H,21,22,23)/t12-,14-,15-,18+/m1/s1
• InChIKey: MPIIQNVLVJWSSQ-DRRHNWJESA-N

Properties

• Density: 2.045g/cm³ (Cal.)
• Boiling point: 811.502°C at 760 mmHg (Cal.)
• Flash point: 444.58°C (Cal.)