ChemSpider 2D Image | (1R,2R,3S,4R,5S,6S)-1,2,3,4,5,6-Cyclohexanehexayl hexaacetate | C18H24O12

(1R,2R,3S,4R,5S,6S)-1,2,3,4,5,6-Cyclohexanehexayl hexaacetate

  • Molecular FormulaC18H24O12
  • Average mass432.376 Da
  • Monoisotopic mass432.126770 Da
  • ChemSpider ID62980383

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3S,4R,5S,6S)-1,2,3,4,5,6-Cyclohexanehexayl hexaacetate [ACD/IUPAC Name]
(1R,2R,3S,4R,5S,6S)-1,2,3,4,5,6-Cyclohexanhexayl-hexaacetat [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, hexaacetate, (1α,2α,3α,4α,5β,6β)- [ACD/Index Name]
Hexaacétate de (1R,2R,3S,4R,5S,6S)-1,2,3,4,5,6-cyclohexanehexayle [French] [ACD/IUPAC Name]
29267-04-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 203.0±28.8 °C
Index of Refraction: 1.488
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.96
ACD/KOC (pH 5.5): 124.92
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.96
ACD/KOC (pH 7.4): 124.92
Polar Surface Area: 158 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

Click to predict properties on the Chemicalize site


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