[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] (2S)-2-Amino-3-Phenylpropanoate
[CAS# 35874-27-2]

Identification

• Name: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] (2S)-2-Amino-3-Phenylpropanoate
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Amino-3-Phenyl-Propanoate; (2S)-2-Amino-3-Phenylpropanoic Acid [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Ester; (2S)-2-Amino-3-Phenyl-Propionic Acid [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Ester
• Molecular Formula: C₁₉H₂₃N₆O₈P
• Molecular Weight: 494.40
• CAS Registry Number: 35874-27-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC(=O)[C@@H](N)CC2=CC=CC=C2)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(28)33-34(29,30)31-7-12-14(26)15(27)18(32-12)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26-27H,6-7,20H2,(H,29,30)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1
• InChIKey: ZFNOOEXYTZPIQS-URQYDQELSA-N

Properties

• Density: 1.839g/cm³ (Cal.)
• Boiling point: 821.379°C at 760 mmHg (Cal.)
• Flash point: 450.554°C (Cal.)