ChemSpider 2D Image | (2S,3S)-2-Fluoro-3,7-dimethyl-3-octanyl trihydrogen diphosphate | C10H23FO7P2

(2S,3S)-2-Fluoro-3,7-dimethyl-3-octanyl trihydrogen diphosphate

  • Molecular FormulaC10H23FO7P2
  • Average mass336.231 Da
  • Monoisotopic mass336.090302 Da
  • ChemSpider ID26353990

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Fluor-3,7-dimethyl-3-octanyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(2S,3S)-2-Fluoro-3,7-dimethyl-3-octanyl trihydrogen diphosphate [ACD/IUPAC Name]
Diphosphoric acid, mono[(1S)-1-[(1S)-1-fluoroethyl]-1,5-dimethylhexyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2S,3S)-2-fluoro-3,7-diméthyl-3-octanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 454.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.3±6.0 kJ/mol
Flash Point: 228.7±29.3 °C
Index of Refraction: 1.467
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -3.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 253.4±3.0 cm3

Click to predict properties on the Chemicalize site


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