ChemSpider 2D Image | (6R)-6-[(1R,2R)-2-Chloro-1-hydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one | C13H13ClO3

(6R)-6-[(1R,2R)-2-Chloro-1-hydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC13H13ClO3
  • Average mass252.693 Da
  • Monoisotopic mass252.055328 Da
  • ChemSpider ID23339575

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R)-6-[(1R,2R)-2-Chlor-1-hydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6R)-6-[(1R,2R)-2-Chloro-1-hydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6R)-6-[(1R,2R)-2-Chloro-1-hydroxy-2-phényléthyl]-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(1R,2R)-2-chloro-1-hydroxy-2-phenylethyl]-5,6-dihydro-, (6R)- [ACD/Index Name]
6R-(7R-hydroxy-8R-chloro-8-phenyl)-5,6-dihydro-2-pyrone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 443.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 221.8±27.3 °C
Index of Refraction: 1.582
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.50
ACD/KOC (pH 5.5): 174.42
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.50
ACD/KOC (pH 7.4): 174.41
Polar Surface Area: 47 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 193.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement