ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-thio-D-glucitol | C21H25ClO5S

(1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-thio-D-glucitol

  • Molecular FormulaC21H25ClO5S
  • Average mass424.938 Da
  • Monoisotopic mass424.111115 Da
  • ChemSpider ID24679365

  • 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-(4-ethoxybenzyl)phenyl]-1-thio-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-thio-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-3-(4-éthoxybenzyl)phényl]-1-thio-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-thio-, (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: 609.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.5±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.11
ACD/KOC (pH 5.5): 1116.28
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.11
ACD/KOC (pH 7.4): 1116.27
Polar Surface Area: 115 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

Click to predict properties on the Chemicalize site


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