ChemSpider 2D Image | (6,6-~2~H_2_)Abieta-8,11,13-trien-18-oic acid | C20H26D2O2

(6,6-2H2)Abieta-8,11,13-trien-18-oic acid

  • Molecular FormulaC20H26D2O2
  • Average mass302.447 Da
  • Monoisotopic mass302.221497 Da
  • ChemSpider ID63001101

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6,6-2H2)Abieta-8,11,13-trien-18-oic acid [ACD/IUPAC Name]
(6,6-2H2)Abieta-8,11,13-trien-18-säure [German] [ACD/IUPAC Name]
1-Phenanthrene-10-d-carboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-10-d-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- [ACD/Index Name]
Acide (6,6-2H2)abiéta-8,11,13-trién-18-oïque [French] [ACD/IUPAC Name]
213775-59-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 202.5±20.3 °C
Index of Refraction: 1.540
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2347.04
ACD/KOC (pH 5.5): 4996.17
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 37.01
ACD/KOC (pH 7.4): 78.78
Polar Surface Area: 37 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site


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