ChemSpider 2D Image | 12-Hydroxyabieta-8,11,13-trien-20-oate | C20H27O3

12-Hydroxyabieta-8,11,13-trien-20-oate

  • Molecular FormulaC20H27O3
  • Average mass315.427 Da
  • Monoisotopic mass315.196564 Da
  • ChemSpider ID128920092

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

12-Hydroxyabieta-8,11,13-trien-20-oat [German] [ACD/IUPAC Name]
12-Hydroxyabieta-8,11,13-trien-20-oate [ACD/IUPAC Name]
12-Hydroxyabiéta-8,11,13-trién-20-oate [French] [ACD/IUPAC Name]
4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-6-hydroxy-1,1-dimethyl-7-(1-methylethyl)-, ion(1-), (4aR,10aS)- [ACD/Index Name]
(+)-pisiferate
pisiferate
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of (+)-pisiferic acid, arising from the deprotonation of the carboxy group. Major species at pH 7.3. ChEBI CHEBI:167487

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

Density:
Boiling Point: 470.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 252.2±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 485.45
ACD/KOC (pH 5.5): 1268.83
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 21.00
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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