ChemSpider 2D Image | (1R,2S,3S,4R)-3-Chloro-5-(hydroxymethyl)-6-[(1E)-1-propen-1-yl]-5-cyclohexene-1,2,4-triol | C10H15ClO4

(1R,2S,3S,4R)-3-Chloro-5-(hydroxymethyl)-6-[(1E)-1-propen-1-yl]-5-cyclohexene-1,2,4-triol

  • Molecular FormulaC10H15ClO4
  • Average mass234.677 Da
  • Monoisotopic mass234.065887 Da
  • ChemSpider ID40256853

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3S,4R)-3-Chlor-5-(hydroxymethyl)-6-[(1E)-1-propen-1-yl]-5-cyclohexen-1,2,4-triol [German] [ACD/IUPAC Name]
(1R,2S,3S,4R)-3-Chloro-5-(hydroxymethyl)-6-[(1E)-1-propen-1-yl]-5-cyclohexene-1,2,4-triol [ACD/IUPAC Name]
(1R,2S,3S,4R)-3-Chloro-5-(hydroxyméthyl)-6-[(1E)-1-propén-1-yl]-5-cyclohexène-1,2,4-triol [French] [ACD/IUPAC Name]
5-Cyclohexene-1,2,4-triol, 3-chloro-5-(hydroxymethyl)-6-[(1E)-1-propen-1-yl]-, (1R,2S,3S,4R)- [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: 462.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 233.7±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 56.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 38.38
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.37
Polar Surface Area: 81 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 165.8±5.0 cm3

Click to predict properties on the Chemicalize site


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