ChemSpider 2D Image | (1alpha,2beta,4aalpha,4bbeta,10beta)-4a-Formyl-2-hydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid | C20H26O6

(1α,2β,4aα,4bβ,10β)-4a-Formyl-2-hydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID113385734

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1α,2β,4aα,4bβ,10β)-4a-Formyl-2-hydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid [ACD/IUPAC Name]
(1α,2β,4aα,4bβ,10β)-4a-Formyl-2-hydroxy-1-methyl-8-methylengibban-1,10-dicarbonsäure [German] [ACD/IUPAC Name]
Acide (1α,2β,4aα,4bβ,10β)-4a-formyl-2-hydroxy-1-méthyl-8-méthylènegibbane-1,10-dicarboxylique [French] [ACD/IUPAC Name]
Gibbane-1,10-dicarboxylic acid, 4a-formyl-2-hydroxy-1-methyl-8-methylene-, (1α,2β,4aα,4bβ,10β)- [ACD/Index Name]
gibberellin A36

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

Density: 1.4±0.1 g/cm3
Boiling Point: 556.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 304.2±26.6 °C
Index of Refraction: 1.604
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 264.8±5.0 cm3

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