ChemSpider 2D Image | (1R,3S,5S,6R,7R,8R,9R)-9-Fluoro-2,4,10-trioxatricyclo[3.3.1.1~3,7~]decane-6,8-diol | C7H9FO5

(1R,3S,5S,6R,7R,8R,9R)-9-Fluoro-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

  • Molecular FormulaC7H9FO5
  • Average mass192.142 Da
  • Monoisotopic mass192.043396 Da
  • ChemSpider ID61401288

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3S,5S,6R,7R,8R,9R)-9-Fluor-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6,8-diol [German] [ACD/IUPAC Name]
(1R,3S,5S,6R,7R,8R,9R)-9-Fluoro-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol [ACD/IUPAC Name]
(1R,3S,5S,6R,7R,8R,9R)-9-Fluoro-2,4,10-trioxatricyclo[3.3.1.13,7]décane-6,8-diol [French] [ACD/IUPAC Name]
2,4,10-Trioxatricyclo[3.3.1.13,7]decane-6,8-diol, 9-fluoro-, (1R,5S,6R,8R)- [ACD/Index Name]
180895-53-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 374.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.0±6.0 kJ/mol
Flash Point: 171.8±24.4 °C
Index of Refraction: 1.567
Molar Refractivity: 36.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 46.01
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 46.01
Polar Surface Area: 68 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 111.9±5.0 cm3

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