[(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Methoxyphosphoryl)Oxymethyl]Oxolan-3-Yl] (2R)-2-Amino-3-Hydroxypropanoate
[CAS# 110707-49-8]

Identification

• Name: [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Methoxyphosphoryl)Oxymethyl]Oxolan-3-Yl] (2R)-2-Amino-3-Hydroxypropanoate
• Synonyms: [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Methoxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] (2R)-2-Amino-3-Hydroxy-Propanoate; (2R)-2-Amino-3-Hydroxypropanoic Acid [(2R,3R,4R,5R)-2-(6-Amino-9-Purinyl)-4-Hydroxy-5-[(Hydroxy-Methoxyphosphoryl)Oxymethyl]-3-Tetrahydrofuranyl] Ester; (2R)-2-Amino-3-Hydroxy-Propionic Acid [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Methoxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₄H₂₁N₆O₉P
• Molecular Weight: 448.33
• CAS Registry Number: 110707-49-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1OC(=O)[C@H](N)CO)CO[P](OC)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C14H21N6O9P/c1-26-30(24,25)27-3-7-9(22)10(29-14(23)6(15)2-21)13(28-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,2-3,15H2,1H3,(H,24,25)(H2,16,17,18)/t6-,7-,9-,10-,13-/m1/s1
• InChIKey: SFXOSIICMFBTII-KWGHVAAJSA-N

Properties

• Density: 2.013g/cm³ (Cal.)
• Boiling point: 796.203°C at 760 mmHg (Cal.)
• Flash point: 435.328°C (Cal.)