[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Oxolan-3-Yl] (2S)-2-Amino-3-(1H-Indol-3-Yl)Propanoate
[CAS# 31528-64-0]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Oxolan-3-Yl] (2S)-2-Amino-3-(1H-Indol-3-Yl)Propanoate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] (2S)-2-Amino-3-(1H-Indol-3-Yl)Propanoate; (2S)-2-Amino-3-(1H-Indol-3-Yl)Propanoic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] Ester; (2S)-2-Amino-3-(1H-Indol-3-Yl)Propionic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₁H₂₄N₇O₈P
• Molecular Weight: 533.44
• CAS Registry Number: 31528-64-0
• SMILES: [C@H]3(O[C@@H]([C@@H](OC(=O)[C@@H](N)CC1=C[NH]C2=CC=CC=C12)[C@H]3O)CO[P](=O)(O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(30)36-17-14(7-34-37(31,32)33)35-20(16(17)29)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29H,5,7,22H2,(H2,23,25,26)(H2,31,32,33)/t12-,14+,16+,17+,20+/m0/s1
• InChIKey: ZTKQHOGBACRMGC-SQIXAUHQSA-N

Properties

• Density: 1.925g/cm³ (Cal.)
• Boiling point: 920.346°C at 760 mmHg (Cal.)
• Flash point: 510.407°C (Cal.)