ChemSpider 2D Image | porosuphenol A | C27H38O6

porosuphenol A

  • Molecular FormulaC27H38O6
  • Average mass458.587 Da
  • Monoisotopic mass458.266846 Da
  • ChemSpider ID81361130

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4S,6E,8E,10S,11S)-11-Hydroxy-1-[4-hydroxy-2-methoxy-6-(2-oxopropyl)phenyl]-2,4,6,8,10-pentamethyl-6,8-dodecadien-3,5-dion [German] [ACD/IUPAC Name]
(2R,4S,6E,8E,10S,11S)-11-Hydroxy-1-[4-hydroxy-2-methoxy-6-(2-oxopropyl)phenyl]-2,4,6,8,10-pentamethyl-6,8-dodecadiene-3,5-dione [ACD/IUPAC Name]
(2R,4S,6E,8E,10S,11S)-11-Hydroxy-1-[4-hydroxy-2-méthoxy-6-(2-oxopropyl)phényl]-2,4,6,8,10-pentaméthyl-6,8-dodécadiène-3,5-dione [French] [ACD/IUPAC Name]
6,8-Dodecadiene-3,5-dione, 11-hydroxy-1-[4-hydroxy-2-methoxy-6-(2-oxopropyl)phenyl]-2,4,6,8,10-pentamethyl-, (2R,4S,6E,8E,10S,11S)- [ACD/Index Name]
porosuphenol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 200.6±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 129.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.12
ACD/KOC (pH 5.5): 913.91
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.14
ACD/KOC (pH 7.4): 904.57
Polar Surface Area: 101 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 418.8±3.0 cm3

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