[(3R,4R,5R)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
[CAS# 130-50-7]

Identification

• Name: [(3R,4R,5R)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
• Synonyms: [(3R,4R,5R)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(3R,4R,5R)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(3R,4R,5R)-2-(2-Amino-6-Keto-3H-Purin-9-Yl)-4-Hydroxy-5-Methylol-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₁₀H₁₄N₅O₈P
• Molecular Weight: 363.22
• CAS Registry Number: 130-50-7
• SMILES: [N]1(C2=C(N=C1)C(N=C(N2)N)=O)C3[C@@H]([C@@H]([C@H](O3)CO)O)O[P](=O)(O)O
• InChI: 1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9?/m1/s1
• InChIKey: WTIFIAZWCCBCGE-LZGMGDPASA-N

Properties

• Density: 2.472g/cm³ (Cal.)
• Boiling point: 908.371°C at 760 mmHg (Cal.)
• Flash point: 503.165°C (Cal.)