ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[4-chloro-5-(4-propylbenzyl)-1-benzofuran-7-yl]-D-glucitol | C24H27ClO6

(1S)-1,5-Anhydro-1-[4-chloro-5-(4-propylbenzyl)-1-benzofuran-7-yl]-D-glucitol

  • Molecular FormulaC24H27ClO6
  • Average mass446.921 Da
  • Monoisotopic mass446.149628 Da
  • ChemSpider ID58860255

  • 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-[4-chlor-5-(4-propylbenzyl)-1-benzofuran-7-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-5-(4-propylbenzyl)-1-benzofuran-7-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-5-(4-propylbenzyl)-1-benzofuran-7-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-5-[(4-propylphenyl)methyl]-7-benzofuranyl]-, (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: 639.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.6±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2138.15
ACD/KOC (pH 5.5): 8418.55
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2138.13
ACD/KOC (pH 7.4): 8418.51
Polar Surface Area: 103 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 328.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement