ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol | C13H17ClO7

(1S)-1,5-Anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol

  • Molecular FormulaC13H17ClO7
  • Average mass320.723 Da
  • Monoisotopic mass320.066284 Da
  • ChemSpider ID26329442

  • 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-(3-chlor-2-hydroxy-5-methoxyphenyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(3-chloro-2-hydroxy-5-méthoxyphényl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-(3-chloro-2-hydroxy-5-methoxyphenyl)-, (1S)- [ACD/Index Name]
Z2T

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

Density: 1.6±0.1 g/cm3
Boiling Point: 495.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.2±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 73.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 47.40
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 45.08
Polar Surface Area: 120 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 205.6±3.0 cm3

Click to predict properties on the Chemicalize site


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