2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Acetic Acid
[CAS# 77133-59-6]

Identification

• Name: 2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Acetic Acid
• Synonyms: 2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Acetic Acid; 2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Acetic Acid; 2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Ethanoic Acid
• Molecular Formula: C₁₂H₁₆N₅O₉P
• Molecular Weight: 405.26
• CAS Registry Number: 77133-59-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)O)[N]2C3=C(N=C2)C(=NC=N3)NCC(=O)O
• InChI: 1S/C12H16N5O9P/c18-6(19)1-13-10-7-11(15-3-14-10)17(4-16-7)12-9(21)8(20)5(26-12)2-25-27(22,23)24/h3-5,8-9,12,20-21H,1-2H2,(H,18,19)(H,13,14,15)(H2,22,23,24)/t5-,8-,9-,12-/m1/s1
• InChIKey: WLOAEWNLYCRMGZ-JJNLEZRASA-N

Properties

• Density: 2.2g/cm³ (Cal.)
• Boiling point: 907.759°C at 760 mmHg (Cal.)
• Flash point: 502.795°C (Cal.)