9-(4-Hydroxy-2-(Hydroxymethyl)Butyl)-Guanine Triphosphate
[CAS# 117191-32-9]

Identification

• Name: 9-(4-Hydroxy-2-(Hydroxymethyl)Butyl)-Guanine Triphosphate
• Synonyms: [3-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methyl]-4-Hydroxy-Butyl] Diphosphono Phosphate; Phosphoric Acid [3-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methyl]-4-Hydroxybutyl] Diphosphono Ester; Phosphoric Acid [3-[(2-Amino-6-Keto-3H-Purin-9-Yl)Methyl]-4-Hydroxy-Butyl] Diphosphono Ester
• Molecular Formula: C₁₀H₁₈N₅O₁₂P₃
• Molecular Weight: 493.20
• CAS Registry Number: 117191-32-9
• SMILES: C1=NC2=C([N]1CC(CCO[P](O[P](O)(O)=O)(O[P](O)(O)=O)=O)CO)NC(=NC2=O)N
• InChI: 1S/C10H18N5O12P3/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)1-2-25-30(24,26-28(18,19)20)27-29(21,22)23/h5-6,16H,1-4H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)
• InChIKey: LULDFWDKTKFRNX-UHFFFAOYSA-N

Properties

• Density: 2.3g/cm³ (Cal.)
• Boiling point: 931.211°C at 760 mmHg (Cal.)
• Flash point: 516.978°C (Cal.)