ChemSpider 2D Image | (3R,5S)-5-(4-Chloro-3,5-dimethoxyphenyl)-3-hydroxydihydro-2(3H)-furanone | C12H13ClO5

(3R,5S)-5-(4-Chloro-3,5-dimethoxyphenyl)-3-hydroxydihydro-2(3H)-furanone

  • Molecular FormulaC12H13ClO5
  • Average mass272.682 Da
  • Monoisotopic mass272.045166 Da
  • ChemSpider ID78437809

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-5-(4-Chlor-3,5-dimethoxyphenyl)-3-hydroxydihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3R,5S)-5-(4-Chloro-3,5-dimethoxyphenyl)-3-hydroxydihydro-2(3H)-furanone [ACD/IUPAC Name]
(3R,5S)-5-(4-Chloro-3,5-diméthoxyphényl)-3-hydroxydihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-(4-chloro-3,5-dimethoxyphenyl)dihydro-3-hydroxy-, (3R,5S)- [ACD/Index Name]
Erinaceolactone C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 448.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 224.9±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.94
ACD/KOC (pH 5.5): 92.81
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 92.81
Polar Surface Area: 65 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 197.4±3.0 cm3

Click to predict properties on the Chemicalize site


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