ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[7-chloro-6-(4-ethoxybenzyl)-3-methyl-2,3-dihydro-1-benzofuran-4-yl]-D-glucitol | C24H29ClO7

(1S)-1,5-Anhydro-1-[7-chloro-6-(4-ethoxybenzyl)-3-methyl-2,3-dihydro-1-benzofuran-4-yl]-D-glucitol

  • Molecular FormulaC24H29ClO7
  • Average mass464.936 Da
  • Monoisotopic mass464.160187 Da
  • ChemSpider ID58904539

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[7-chlor-6-(4-ethoxybenzyl)-3-methyl-2,3-dihydro-1-benzofuran-4-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-chloro-6-(4-ethoxybenzyl)-3-methyl-2,3-dihydro-1-benzofuran-4-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-chloro-6-(4-éthoxybenzyl)-3-méthyl-2,3-dihydro-1-benzofuran-4-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[7-chloro-6-[(4-ethoxyphenyl)methyl]-2,3-dihydro-3-methyl-4-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: 640.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.3±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.23
ACD/KOC (pH 5.5): 1955.74
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.23
ACD/KOC (pH 7.4): 1955.73
Polar Surface Area: 109 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

Click to predict properties on the Chemicalize site


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