ChemSpider 2D Image | (2S,5R,7S,11S)-9-Chloro-2-ethyl-7-hydroxy-7-(hydroxymethyl)-5,11-dimethyl-3-oxabicyclo[11.3.1]heptadeca-1(17),9,13,15-tetraene-4,6-dione | C21H27ClO5

(2S,5R,7S,11S)-9-Chloro-2-ethyl-7-hydroxy-7-(hydroxymethyl)-5,11-dimethyl-3-oxabicyclo[11.3.1]heptadeca-1(17),9,13,15-tetraene-4,6-dione

  • Molecular FormulaC21H27ClO5
  • Average mass394.889 Da
  • Monoisotopic mass394.154694 Da
  • ChemSpider ID9386654

  • 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

(2S,5R,7S,11S)-9-Chlor-2-ethyl-7-hydroxy-7-(hydroxymethyl)-5,11-dimethyl-3-oxabicyclo[11.3.1]heptadeca-1(17),9,13,15-tetraen-4,6-dion [German] [ACD/IUPAC Name]
(2S,5R,7S,11S)-9-Chloro-2-ethyl-7-hydroxy-7-(hydroxymethyl)-5,11-dimethyl-3-oxabicyclo[11.3.1]heptadeca-1(17),9,13,15-tetraene-4,6-dione [ACD/IUPAC Name]
(2S,5R,7S,11S)-9-Chloro-2-éthyl-7-hydroxy-7-(hydroxyméthyl)-5,11-diméthyl-3-oxabicyclo[11.3.1]heptadéca-1(17),9,13,15-tétraène-4,6-dione [French] [ACD/IUPAC Name]
3-Oxabicyclo[11.3.1]heptadeca-1(17),9,13,15-tetraene-4,6-dione, 9-chloro-2-ethyl-7-hydroxy-7-(hydroxymethyl)-5,11-dimethyl-, (2S,5R,7S,11S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 367.55
ACD/KOC (pH 5.5): 2387.03
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 366.74
ACD/KOC (pH 7.4): 2381.72
Polar Surface Area: 84 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 317.7±5.0 cm3

Click to predict properties on the Chemicalize site


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