ChemSpider 2D Image | Bis(2,2,2-trifluoroethyl) {[(1-{2-amino-6-[(4-hydroxyphenyl)sulfanyl]-9H-purin-9-yl}-2-propanyl)oxy]methyl}phosphonate | C19H20F6N5O5PS

Bis(2,2,2-trifluoroethyl) {[(1-{2-amino-6-[(4-hydroxyphenyl)sulfanyl]-9H-purin-9-yl}-2-propanyl)oxy]methyl}phosphonate

  • Molecular FormulaC19H20F6N5O5PS
  • Average mass575.422 Da
  • Monoisotopic mass575.082703 Da
  • ChemSpider ID8275166

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{[(1-{2-Amino-6-[(4-hydroxyphényl)sulfanyl]-9H-purin-9-yl}-2-propanyl)oxy]méthyl}phosphonate de bis(2,2,2-trifluoroéthyle) [French] [ACD/IUPAC Name]
Bis(2,2,2-trifluorethyl)-{[(1-{2-amino-6-[(4-hydroxyphenyl)sulfanyl]-9H-purin-9-yl}-2-propanyl)oxy]methyl}phosphonat [German] [ACD/IUPAC Name]
Bis(2,2,2-trifluoroethyl) {[(1-{2-amino-6-[(4-hydroxyphenyl)sulfanyl]-9H-purin-9-yl}-2-propanyl)oxy]methyl}phosphonate [ACD/IUPAC Name]
Phosphonic acid, P-[[2-[2-amino-6-[(4-hydroxyphenyl)thio]-9H-purin-9-yl]-1-methylethoxy]methyl]-, bis(2,2,2-trifluoroethyl) ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 691.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 371.8±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 118.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.79
ACD/KOC (pH 5.5): 1629.64
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 209.33
ACD/KOC (pH 7.4): 1580.82
Polar Surface Area: 170 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 350.4±7.0 cm3

Click to predict properties on the Chemicalize site


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