ChemSpider 2D Image | (4alpha,8Z)-8-({[(2E)-3-(2-Chlorophenyl)-2-propenoyl]oxy}imino)-12,13-epoxytrichothec-9-en-4-yl (2E)-3-(2-chlorophenyl)acrylate | C33H31Cl2NO6

(4α,8Z)-8-({[(2E)-3-(2-Chlorophenyl)-2-propenoyl]oxy}imino)-12,13-epoxytrichothec-9-en-4-yl (2E)-3-(2-chlorophenyl)acrylate

  • Molecular FormulaC33H31Cl2NO6
  • Average mass608.508 Da
  • Monoisotopic mass607.152832 Da
  • ChemSpider ID30657182

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-3-(2-Chlorophényl)acrylate de (4α,8Z)-8-({[(2E)-3-(2-chlorophényl)-2-propenoyl]oxy}imino)-12,13-époxytrichothec-9-én-4-yle [French] [ACD/IUPAC Name]
(4α,8Z)-8-({[(2E)-3-(2-Chlorophenyl)-2-propenoyl]oxy}imino)-12,13-epoxytrichothec-9-en-4-yl (2E)-3-(2-chlorophenyl)acrylate [ACD/IUPAC Name]
(4α,8Z)-8-({[(2E)-3-(2-Chlorphenyl)-2-propenoyl]oxy}imino)-12,13-epoxytrichothec-9-en-4-yl-(2E)-3-(2-chlorphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(2-chlorophenyl)-, (2α,4β,6β,8Z,11β,12α)-8-[[[(2E)-3-(2-chlorophenyl)-1-oxo-2-propen-1-yl]oxy]imino]-12,13-epoxytrichothec-9-en-4-yl ester, (2E)- [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: 708.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.1±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 159.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 60075.25
ACD/KOC (pH 5.5): 91658.25
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 60075.25
ACD/KOC (pH 7.4): 91658.25
Polar Surface Area: 87 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 449.1±7.0 cm3

Click to predict properties on the Chemicalize site


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