N(6)-(2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl)adenosine
[CAS# 120442-40-2]

Identification

• Name: N(6)-(2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl)adenosine
• Synonyms: (3R,4S,5R)-2-[6-[[2-(3,5-Dimethoxyphenyl)-2-(2-Methylphenyl)Ethyl]Amino]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (3R,4S,5R)-2-[6-[[2-(3,5-Dimethoxyphenyl)-2-(2-Methylphenyl)Ethyl]Amino]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (3R,4S,5R)-2-[6-[[2-(3,5-Dimethoxyphenyl)-2-(2-Methylphenyl)Ethyl]Amino]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₂₇H₃₁N₅O₆
• Molecular Weight: 521.57
• CAS Registry Number: 120442-40-2
• SMILES: [N]2(C1=NC=NC(=C1N=C2)NCC(C3=CC(=CC(=C3)OC)OC)C4=C(C=CC=C4)C)C5O[C@@H]([C@@H](O)[C@H]5O)CO
• InChI: 1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27?/m1/s1
• InChIKey: BUHVIAUBTBOHAG-DXOKPZAMSA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 823.674°C at 760 mmHg (Cal.)
• Flash point: 451.942°C (Cal.)