ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethylbenzyl)-5,6,7,8-tetrahydro-1-naphthalenyl]-D-glucitol | C25H31ClO5

(1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethylbenzyl)-5,6,7,8-tetrahydro-1-naphthalenyl]-D-glucitol

  • Molecular FormulaC25H31ClO5
  • Average mass446.964 Da
  • Monoisotopic mass446.186005 Da
  • ChemSpider ID76805258
  • 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-ethylbenzyl)-5,6,7,8-tetrahydro-1-naphthalinyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-3-(4-éthylbenzyl)-5,6,7,8-tétrahydro-1-naphtalényl]-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethylbenzyl)-5,6,7,8-tetrahydro-1-naphthalenyl]-D-glucitol [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethylphenyl)methyl]-5,6,7,8-tetrahydro-1-naphthalenyl]-, (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: 641.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4370.56
ACD/KOC (pH 5.5): 14043.94
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4370.54
ACD/KOC (pH 7.4): 14043.90
Polar Surface Area: 90 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 342.2±3.0 cm3

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