ChemSpider 2D Image | (1S)-1,4-Anhydro-1-[4-chloro-3-(4-isopropylbenzyl)phenyl]-D-glucitol | C22H27ClO5

(1S)-1,4-Anhydro-1-[4-chloro-3-(4-isopropylbenzyl)phenyl]-D-glucitol

  • Molecular FormulaC22H27ClO5
  • Average mass406.900 Da
  • Monoisotopic mass406.154694 Da
  • ChemSpider ID30839156

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-[4-chlor-3-(4-isopropylbenzyl)phenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[4-chloro-3-(4-isopropylbenzyl)phenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[4-chloro-3-(4-isopropylbenzyl)phényl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,4-anhydro-1-C-[4-chloro-3-[[4-(1-methylethyl)phenyl]methyl]phenyl]-, (1S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 620.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.8±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 185.50
ACD/KOC (pH 5.5): 1463.15
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.50
ACD/KOC (pH 7.4): 1463.14
Polar Surface Area: 90 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 310.0±3.0 cm3

Click to predict properties on the Chemicalize site


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