ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[7-chloro-6-(4-ethylbenzyl)-1,3-benzodioxol-4-yl]-D-glucitol | C22H25ClO7

(1S)-1,5-Anhydro-1-[7-chloro-6-(4-ethylbenzyl)-1,3-benzodioxol-4-yl]-D-glucitol

  • Molecular FormulaC22H25ClO7
  • Average mass436.883 Da
  • Monoisotopic mass436.128876 Da
  • ChemSpider ID58893732

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[7-chlor-6-(4-ethylbenzyl)-1,3-benzodioxol-4-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-chloro-6-(4-ethylbenzyl)-1,3-benzodioxol-4-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-chloro-6-(4-éthylbenzyl)-1,3-benzodioxol-4-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[7-chloro-6-[(4-ethylphenyl)methyl]-1,3-benzodioxol-4-yl]-, (1S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 328.0±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.88
ACD/KOC (pH 5.5): 1614.67
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.88
ACD/KOC (pH 7.4): 1614.66
Polar Surface Area: 109 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 306.6±3.0 cm3

Click to predict properties on the Chemicalize site


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