P-[[2-(2,6-diamino-9H-purin-9-yl)ethoxy]methyl]-phosphonic acid
[CAS# 113852-41-8]

Identification

• Name: P-[[2-(2,6-diamino-9H-purin-9-yl)ethoxy]methyl]-phosphonic acid
• Synonyms: PMEDAP
• Molecular Formula: C₈H₁₃N₆O₄P
• Molecular Weight: 288.20
• CAS Registry Number: 113852-41-8
• SMILES: O=P(O)(O)COCCN1C=NC=2C(=NC(=NC21)N)N

Properties

• Solubility: Slightly soluble (3.2 g/L) (25 ºC), Calc.^*
• pKa: 5.12±0.10 (Most basic 25 ºC), Calc.^*
• Density: 2.037±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 748.7±70.0 ºC (760 Torr), Calc.^*
• Flash point: 406.6±35.7 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)