ChemSpider 2D Image | 6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]nonadec-3-en-17-yl (2E)-3-(4-hydroxyphenyl)acrylate | C39H50O11

6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC39H50O11
  • Average mass694.808 Da
  • Monoisotopic mass694.335327 Da
  • ChemSpider ID24628606

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxyphényl)acrylate de 6,7-dihydroxy-8-(hydroxyméthyl)-16-isopropényl-4,18-diméthyl-14-nonyl-5-oxo-9,13,15,19-tétraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadéc-3-én-17-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-nonyl-6-oxo-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e ]-1,3-benzodioxol-10-yl ester, (2E)- [ACD/Index Name]
6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC 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: 818.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 249.2±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 181.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 9.24
ACD/LogD (pH 5.5): 8.07
ACD/BCF (pH 5.5): 799057.19
ACD/KOC (pH 5.5): 584286.56
ACD/LogD (pH 7.4): 8.07
ACD/BCF (pH 7.4): 794620.63
ACD/KOC (pH 7.4): 581042.44
Polar Surface Area: 165 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 512.5±5.0 cm3

Click to predict properties on the Chemicalize site


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