[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (2S)-2-Acetamido-3-Phenylpropanoate
[CAS# 34996-32-2]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (2S)-2-Acetamido-3-Phenylpropanoate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (2S)-2-Acetamido-3-Phenyl-Propanoate; (2S)-2-Acetamido-3-Phenylpropanoic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; (2S)-2-Acetamido-3-Phenyl-Propionic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₂₁H₂₄N₆O₆
• Molecular Weight: 456.46
• CAS Registry Number: 34996-32-2 (34996-45-7)
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)COC(=O)[C@@H](NC(=O)C)CC2=CC=CC=C2)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C21H24N6O6/c1-11(28)26-13(7-12-5-3-2-4-6-12)21(31)32-8-14-16(29)17(30)20(33-14)27-10-25-15-18(22)23-9-24-19(15)27/h2-6,9-10,13-14,16-17,20,29-30H,7-8H2,1H3,(H,26,28)(H2,22,23,24)/t13-,14+,16+,17+,20+/m0/s1
• InChIKey: VYMMPDQVLYQCQF-SWQDORGXSA-N

Properties

• Density: 1.608g/cm³ (Cal.)