ChemSpider 2D Image | (1S)-1,4-Anhydro-1-[4-chloro-5-(4-isopropylbenzyl)-2-methoxyphenyl]-D-glucitol | C23H29ClO6

(1S)-1,4-Anhydro-1-[4-chloro-5-(4-isopropylbenzyl)-2-methoxyphenyl]-D-glucitol

  • Molecular FormulaC23H29ClO6
  • Average mass436.926 Da
  • Monoisotopic mass436.165253 Da
  • ChemSpider ID30839144

  • 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-5-(4-isopropylbenzyl)-2-methoxyphenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[4-chloro-5-(4-isopropylbenzyl)-2-methoxyphenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[4-chloro-5-(4-isopropylbenzyl)-2-méthoxyphényl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,4-anhydro-1-C-[4-chloro-2-methoxy-5-[[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: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.63
ACD/KOC (pH 5.5): 1531.01
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.63
ACD/KOC (pH 7.4): 1531.01
Polar Surface Area: 99 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 334.0±3.0 cm3

Click to predict properties on the Chemicalize site


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