ChemSpider 2D Image | (2Z,4E)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(1R,2S,6S)-6-(4-hydroxy-3-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-3-cyclohexen-1-yl]-2,4-pentadien-1-one | C34H36O9

(2Z,4E)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(1R,2S,6S)-6-(4-hydroxy-3-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-3-cyclohexen-1-yl]-2,4-pentadien-1-one

  • Molecular FormulaC34H36O9
  • Average mass588.644 Da
  • Monoisotopic mass588.235962 Da
  • ChemSpider ID8433284

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2Z,4E)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(1R,2S,6S)-6-(4-hydroxy-3-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-3-cyclohexen-1-yl]-2,4-pentadien-1-on [German] [ACD/IUPAC Name]
(2Z,4E)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(1R,2S,6S)-6-(4-hydroxy-3-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-3-cyclohexen-1-yl]-2,4-pentadien-1-one [ACD/IUPAC Name]
(2Z,4E)-3-Hydroxy-5-(4-hydroxy-3-méthoxyphényl)-1-[(1R,2S,6S)-6-(4-hydroxy-3-méthoxyphényl)-2-(2,4,5-triméthoxyphényl)-3-cyclohexén-1-yl]-2,4-pentadién-1-one [French] [ACD/IUPAC Name]
2,4-Pentadien-1-one, 3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(1R,2S,6S)-6-(4-hydroxy-3-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-3-cyclohexen-1-yl]-, (2Z,4E)- [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: 765.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 242.2±26.4 °C
Index of Refraction: 1.617
Molar Refractivity: 164.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 684.16
ACD/KOC (pH 5.5): 3722.34
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 608.81
ACD/KOC (pH 7.4): 3312.33
Polar Surface Area: 124 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 469.0±3.0 cm3

Click to predict properties on the Chemicalize site


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