ChemSpider 2D Image | (1S)-1-{2-[(Allyloxy)methyl]-4-chloro-5-(4-ethylbenzyl)phenyl}-1,5-anhydro-D-glucitol | C25H31ClO6

(1S)-1-{2-[(Allyloxy)methyl]-4-chloro-5-(4-ethylbenzyl)phenyl}-1,5-anhydro-D-glucitol

  • Molecular FormulaC25H31ClO6
  • Average mass462.963 Da
  • Monoisotopic mass462.180908 Da
  • ChemSpider ID25034164

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1-{2-[(Allyloxy)methyl]-4-chlor-5-(4-ethylbenzyl)phenyl}-1,5-anhydro-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1-{2-[(Allyloxy)methyl]-4-chloro-5-(4-ethylbenzyl)phenyl}-1,5-anhydro-D-glucitol [ACD/IUPAC Name]
(1S)-1-{2-[(Allyloxy)méthyl]-4-chloro-5-(4-éthylbenzyl)phényl}-1,5-anhydro-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-5-[(4-ethylphenyl)methyl]-2-[(2-propen-1-yloxy)methyl]phenyl]-, (1S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1027.17
ACD/KOC (pH 5.5): 4981.21
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1027.17
ACD/KOC (pH 7.4): 4981.19
Polar Surface Area: 99 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 362.7±3.0 cm3

Click to predict properties on the Chemicalize site


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