Sodium [2-[1-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-Oxoethoxy]-3-Oxopropyl] Dihydrogen Phosphate
[CAS# 103192-44-5]

Identification

• Name: Sodium [2-[1-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-Oxoethoxy]-3-Oxopropyl] Dihydrogen Phosphate
• Synonyms: Sodium [2-[1-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-Oxo-Ethoxy]-3-Oxo-Propyl] Dihydrogen Phosphate; Sodium [2-[1-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-Keto-Ethoxy]-3-Keto-Propyl] Dihydrogen Phosphate; 2-Amino-Alpha-(1-Formyl-2-(Phosphonooxy)Methoxy)-1,6-Dihydro-6-Oxo-9H-Purine-9-Acetaldehyde Monosodium Salt
• Molecular Formula: C₁₀H₁₂N₅NaO₈P
• Molecular Weight: 384.20
• CAS Registry Number: 103192-44-5
• SMILES: C1=NC2=C([N]1C(OC(CO[P](O)(O)=O)C=O)C=O)NC(=NC2=O)N.[Na+]
• InChI: 1S/C10H12N5O8P.Na/c11-10-13-8-7(9(18)14-10)12-4-15(8)6(2-17)23-5(1-16)3-22-24(19,20)21;/h1-2,4-6H,3H2,(H2,19,20,21)(H3,11,13,14,18);/q;+1
• InChIKey: UUKRBEUPPNQWFL-UHFFFAOYSA-N

Properties

• Boiling point: 734.4°C at 760 mmHg (Cal.)
• Flash point: 397.9°C (Cal.)