ChemSpider 2D Image | (1alpha,4aalpha,4bbeta,6alpha,10beta)-4a-Formyl-6,7-dihydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid | C20H26O7

(1α,4aα,4bβ,6α,10β)-4a-Formyl-6,7-dihydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid

  • Molecular FormulaC20H26O7
  • Average mass378.416 Da
  • Monoisotopic mass378.167847 Da
  • ChemSpider ID103884882

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1α,4aα,4bβ,6α,10β)-4a-Formyl-6,7-dihydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid [ACD/IUPAC Name]
(1α,4aα,4bβ,6α,10β)-4a-Formyl-6,7-dihydroxy-1-methyl-8-methylengibban-1,10-dicarbonsäure [German] [ACD/IUPAC Name]
328058-47-5 [RN]
Acide (1α,4aα,4bβ,6α,10β)-4a-formyl-6,7-dihydroxy-1-méthyl-8-méthylènegibbane-1,10-dicarboxylique [French] [ACD/IUPAC Name]
Gibbane-1,10-dicarboxylic acid, 4a-formyl-6,7-dihydroxy-1-methyl-8-methylene-, (1α,4aα,4bβ,6α,10β)- [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: 576.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 316.2±26.6 °C
Index of Refraction: 1.626
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 261.9±5.0 cm3

Click to predict properties on the Chemicalize site


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