Found 33 results

Search term: MF = 'C_{39}H_{56}O_{5}'
ChemSpider 2D Image | (3beta)-23,28-Dihydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxyphenyl)acrylate | C39H56O5

(3β)-23,28-Dihydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC39H56O5
  • Average mass604.859 Da
  • Monoisotopic mass604.412781 Da
  • ChemSpider ID58928694

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxyphényl)acrylate de (3β)-23,28-dihydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
(3β)-23,28-Dihydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
(3β)-23,28-Dihydroxylup-20(29)-en-3-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (3β)-23,28-dihydroxylup-20(29)-en-3-yl ester, (2E)- [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: 690.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 205.3±18.1 °C
Index of Refraction: 1.589
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.66
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 939964.88
ACD/KOC (pH 5.5): 656317.31
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 935161.69
ACD/KOC (pH 7.4): 652963.56
Polar Surface Area: 87 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 520.1±5.0 cm3

Click to predict properties on the Chemicalize site


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