ChemSpider 2D Image | (4E)-8-Chloro-6-hydroxy-9,11-dimethoxy-14-methyl-1a,2,3,6,7,14,15,15a-octahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one | C20H25ClO6

(4E)-8-Chloro-6-hydroxy-9,11-dimethoxy-14-methyl-1a,2,3,6,7,14,15,15a-octahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one

  • Molecular FormulaC20H25ClO6
  • Average mass396.862 Da
  • Monoisotopic mass396.133972 Da
  • ChemSpider ID24621968

  • 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

(4E)-8-Chlor-6-hydroxy-9,11-dimethoxy-14-methyl-1a,2,3,6,7,14,15,15a-octahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-on [German] [ACD/IUPAC Name]
(4E)-8-Chloro-6-hydroxy-9,11-dimethoxy-14-methyl-1a,2,3,6,7,14,15,15a-octahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one [ACD/IUPAC Name]
(4E)-8-Chloro-6-hydroxy-9,11-diméthoxy-14-méthyl-1a,2,3,6,7,14,15,15a-octahydro-12H-oxiréno[e][2]benzoxacyclotétradécin-12-one [French] [ACD/IUPAC Name]
12H-Oxireno[e][2]benzoxacyclotetradecin-12-one, 8-chloro-1a,2,3,6,7,14,15,15a-octahydro-6-hydroxy-9,11-dimethoxy-14-methyl-, (4E)- [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: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.2±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 160.86
ACD/KOC (pH 5.5): 1321.25
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 160.86
ACD/KOC (pH 7.4): 1321.25
Polar Surface Area: 78 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 325.7±3.0 cm3

Click to predict properties on the Chemicalize site


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