ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol | C12H15ClO7

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

  • Molecular FormulaC12H15ClO7
  • Average mass306.696 Da
  • Monoisotopic mass306.050629 Da
  • ChemSpider ID26336354
  • 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-2,5-dihydroxyphenyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(3-chloro-2,5-dihydroxyphényl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-(3-chloro-2,5-dihydroxyphenyl)-, (1S)- [ACD/Index Name]
Z16

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 521.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 269.0±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.08
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.20
Polar Surface Area: 131 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 84.2±3.0 dyne/cm
Molar Volume: 180.0±3.0 cm3

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