ChemSpider 2D Image | (1beta,13alpha)-6,9-Dihydroxy-7,11-dioxo-1,20-cyclopimara-5,8(14),15-trien-19-oic acid | C20H22O6

(1β,13α)-6,9-Dihydroxy-7,11-dioxo-1,20-cyclopimara-5,8(14),15-trien-19-oic acid

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID113600408

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1β,13α)-6,9-Dihydroxy-7,11-dioxo-1,20-cyclopimara-5,8(14),15-trien-19-oic acid [ACD/IUPAC Name]
(1β,13α)-6,9-Dihydroxy-7,11-dioxo-1,20-cyclopimara-5,8(14),15-trien-19-säure [German] [ACD/IUPAC Name]
Acide (1β,13α)-6,9-dihydroxy-7,11-dioxo-1,20-cyclopimara-5,8(14),15-trién-19-oïque [French] [ACD/IUPAC Name]
Cyclopropa[d]phenanthrene-3-carboxylic acid, 7-ethenyl-1,2,3,5,7,8,9,9a,10,10a-decahydro-4,9a-dihydroxy-3,7-dimethyl-5,9-dioxo-, (3S,7R,9aS,9bS,10aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±6.0 kJ/mol
Flash Point: 362.1±28.0 °C
Index of Refraction: 1.646
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 15.01
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 249.0±5.0 cm3

Click to predict properties on the Chemicalize site


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