ChemSpider 2D Image | (4E,9R,11R)-9,11-Dihydroxy-27-(4-hydroxyphenyl)-4-methyl-4-heptacosen-3-one | C34H58O4

(4E,9R,11R)-9,11-Dihydroxy-27-(4-hydroxyphenyl)-4-methyl-4-heptacosen-3-one

  • Molecular FormulaC34H58O4
  • Average mass530.822 Da
  • Monoisotopic mass530.433533 Da
  • ChemSpider ID58837851

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4E,9R,11R)-9,11-Dihydroxy-27-(4-hydroxyphenyl)-4-methyl-4-heptacosen-3-on [German] [ACD/IUPAC Name]
(4E,9R,11R)-9,11-Dihydroxy-27-(4-hydroxyphenyl)-4-methyl-4-heptacosen-3-one [ACD/IUPAC Name]
(4E,9R,11R)-9,11-Dihydroxy-27-(4-hydroxyphényl)-4-méthyl-4-heptacosén-3-one [French] [ACD/IUPAC Name]
4-Heptacosen-3-one, 9,11-dihydroxy-27-(4-hydroxyphenyl)-4-methyl-, (4E,9R,11R)- [ACD/Index Name]
(4E,9R,11R)-9,11-dihydroxy-27-(4-hydroxyphenyl)-4-methylheptacos-4-en-3-one
C34-phenolphthiodiolenone A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 678.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 377.8±28.0 °C
Index of Refraction: 1.513
Molar Refractivity: 161.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 9.77
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1162409.38
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1160345.00
Polar Surface Area: 78 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 536.2±3.0 cm3

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