ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[4-chloro-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)phenyl]-D-glucitol | C22H25ClO7

(1S)-1,5-Anhydro-1-[4-chloro-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)phenyl]-D-glucitol

  • Molecular FormulaC22H25ClO7
  • Average mass436.883 Da
  • Monoisotopic mass436.128876 Da
  • ChemSpider ID58892081

  • 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-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)phenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)phenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-3-(3,4-dihydro-2H-1,5-benzodioxépin-7-ylméthyl)phényl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]phenyl]-, (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: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.2±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.54
ACD/KOC (pH 5.5): 609.23
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.54
ACD/KOC (pH 7.4): 609.23
Polar Surface Area: 109 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 309.2±3.0 cm3

Click to predict properties on the Chemicalize site


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