[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[(2-Formylphenoxy)Methyl]-4-Hydroxyoxolan-3-Yl] Dihydrogen Phosphate
[CAS# 109606-33-9]

Identification

• Name: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[(2-Formylphenoxy)Methyl]-4-Hydroxyoxolan-3-Yl] Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[(2-Formylphenoxy)Methyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[(2-Formylphenoxy)Methyl]-4-Hydroxy-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-[(2-Formylphenoxy)Methyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₁₇H₁₈N₅O₉P
• Molecular Weight: 467.33
• CAS Registry Number: 109606-33-9
• SMILES: [C@H]1(O[P](O)(O)=O)[C@@H](O)[C@@H](O[C@@H]1COC2=CC=CC=C2C=O)[N]3C4=C(N=C3)C(=O)N=C(N4)N
• InChI: 1S/C17H18N5O9P/c18-17-20-14-11(15(25)21-17)19-7-22(14)16-12(24)13(31-32(26,27)28)10(30-16)6-29-9-4-2-1-3-8(9)5-23/h1-5,7,10,12-13,16,24H,6H2,(H2,26,27,28)(H3,18,20,21,25)/t10-,12-,13-,16-/m1/s1
• InChIKey: HPELIFRLXVOOIF-XNIJJKJLSA-N

Properties

• Density: 1.97g/cm³ (Cal.)
• Boiling point: 927.732°C at 760 mmHg (Cal.)
• Flash point: 514.874°C (Cal.)