ChemSpider 2D Image | (2E,6Z)-9-[(5S)-5-(2,5-Dihydroxyphenyl)-2-oxo-2,5-dihydro-3-furanyl]-6-(hydroxymethyl)-2-methyl-2,6-nonadien-1-yl (2E)-3-(4-hydroxyphenyl)acrylate | C30H32O8

(2E,6Z)-9-[(5S)-5-(2,5-Dihydroxyphenyl)-2-oxo-2,5-dihydro-3-furanyl]-6-(hydroxymethyl)-2-methyl-2,6-nonadien-1-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC30H32O8
  • Average mass520.570 Da
  • Monoisotopic mass520.209717 Da
  • ChemSpider ID58925892

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxyphényl)acrylate de (2E,6Z)-9-[(5S)-5-(2,5-dihydroxyphényl)-2-oxo-2,5-dihydro-3-furanyl]-6-(hydroxyméthyl)-2-méthyl-2,6-nonadién-1-yle [French] [ACD/IUPAC Name]
(2E,6Z)-9-[(5S)-5-(2,5-Dihydroxyphenyl)-2-oxo-2,5-dihydro-3-furanyl]-6-(hydroxymethyl)-2-methyl-2,6-nonadien-1-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
(2E,6Z)-9-[(5S)-5-(2,5-Dihydroxyphenyl)-2-oxo-2,5-dihydro-3-furanyl]-6-(hydroxymethyl)-2-methyl-2,6-nonadien-1-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2E,6Z)-9-[(5S)-5-(2,5-dihydroxyphenyl)-2,5-dihydro-2-oxo-3-furanyl]-6-(hydroxymethyl)-2-methyl-2,6-nonadien-1-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 790.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 259.7±26.4 °C
Index of Refraction: 1.634
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 271.07
ACD/KOC (pH 5.5): 1919.47
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.81
ACD/KOC (pH 7.4): 1896.40
Polar Surface Area: 134 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 402.8±3.0 cm3

Click to predict properties on the Chemicalize site


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