ChemSpider 2D Image | 4,5,6-Trihydroxy-1,2,3-tris(trifluoroacetyl)-1,2,3-cyclohexanetriyl tris(trifluoroacetate) | C18H6F18O12

4,5,6-Trihydroxy-1,2,3-tris(trifluoroacetyl)-1,2,3-cyclohexanetriyl tris(trifluoroacetate)

  • Molecular FormulaC18H6F18O12
  • Average mass756.204 Da
  • Monoisotopic mass755.957153 Da
  • ChemSpider ID134189

More details:

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

4,5,6-Trihydroxy-1,2,3-tris(trifluoracetyl)-1,2,3-cyclohexantriyl-tris(trifluoracetat) [German] [ACD/IUPAC Name]
4,5,6-Trihydroxy-1,2,3-tris(trifluoroacetyl)-1,2,3-cyclohexanetriyl tris(trifluoroacetate) [ACD/IUPAC Name]
Acetic acid, 2,2,2-trifluoro-, 4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-1,2,3-cyclohexanetriyl ester [ACD/Index Name]
Tris(trifluoroacétate) de 4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacétyl)-1,2,3-cyclohexanetriyle [French] [ACD/IUPAC Name]
18686-38-9 [RN]
Hexakis(trifluoroacetyl)inositol
Hexakis(trifluoroacetyl)myo-inositol
Hexakis-tfa-inositol
myo-Inositol, hexakis(trifluoroacetate)

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

Density: 1.9±0.1 g/cm3
Boiling Point: 466.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 236.1±28.7 °C
Index of Refraction: 1.406
Molar Refractivity: 96.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 13.62
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41672.42
ACD/KOC (pH 5.5): 70534.88
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 39965.26
ACD/KOC (pH 7.4): 67645.34
Polar Surface Area: 191 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

Click to predict properties on the Chemicalize site


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