2-Methyl-2-Propanyl 3-{4-[2-({6-Amino-9-[(3aS,4R,6S,6aR)-6-(Ethylcarbamoyl)-2,2-Dimethyltetrahydrofuro[3,4-d][1,3]Dioxol-4-Yl]-9H-Purin-2-Yl}Amino)Ethyl]Phenyl}Propanoate
[CAS# 120225-76-5]

Identification

• Name: 2-Methyl-2-Propanyl 3-{4-[2-({6-Amino-9-[(3aS,4R,6S,6aR)-6-(Ethylcarbamoyl)-2,2-Dimethyltetrahydrofuro[3,4-d][1,3]Dioxol-4-Yl]-9H-Purin-2-Yl}Amino)Ethyl]Phenyl}Propanoate
• Synonyms: 2-[[4-[2-(tert-Butoxycarbonyl)ethyl]phenylethyl]amino]2',3'-O-isopropylideneadenosine-5'-N-ethylcarboxamide; 2-[[4-[2-tBoc-ethyl]phenylethyl]amino]2',3'-O-isopropylideneadenosine-5'-N-ethylcarboxamide
• Molecular Formula: C₃₀H₄₁N₇O₆
• Molecular Weight: 595.69
• CAS Registry Number: 120225-76-5
• SMILES: CCNC(=O)[C@@H]1[C@H]2[C@@H]([C@@H](O1)n3cnc4c3nc(nc4N)NCCc5ccc(cc5)CCC(=O)OC(C)(C)C)OC(O2)(C)C
• InChI: 1S/C30H41N7O6/c1-7-32-26(39)22-21-23(43-30(5,6)42-21)27(40-22)37-16-34-20-24(31)35-28(36-25(20)37)33-15-14-18-10-8-17(9-11-18)12-13-19(38)41-29(2,3)4/h8-11,16,21-23,27H,7,12-15H2,1-6H3,(H,32,39)(H3,31,33,35,36)/t21-,22-,23-,27+/m0/s1
• InChIKey: HTABKEQHHQHYFD-RNLGNXJRSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Refractive index: 1.649 (Cal.)