Description
Used as an antiviral.
Synonyms
P-[[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonic Acid; 9-(2-Phosphonylmethoxyethyl)adenine;
IUPAC Name
2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid
Molecular Formula
C8H12N5O4P
Canonical SMILES
C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N
InChI
InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
InChIKey
SUPKOOSCJHTBAH-UHFFFAOYSA-N
Boiling Point
632.5±65.0 °C at 760 mmHg
Flash Point
336.3±34.3 °C
Solubility
In Vitro:
0.1 M NaOH : 10 mg/mL (36.60 mM; ultrasonic and adjust pH to 10 with NaOH)
H2O : 1 mg/mL (3.66 mM; ultrasonic and warming and heat to 60°C)
Appearance
Off-White to Light Brown Solid
Application
Phosphonic acids; adenine/analogs & derivatives; antiviral agents; reverse transcriptase inhibitors
Storage
Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Vapor Pressure
0.0±2.0 mmHg at 25°C