ChemSpider 2D Image | (1alpha,4aalpha,4bbeta,10beta)-1,4a-Dimethyl-8-methylenegibbane-1,10-dicarboxylate | C20H26O4

(1α,4aα,4bβ,10β)-1,4a-Dimethyl-8-methylenegibbane-1,10-dicarboxylate

  • Molecular FormulaC20H26O4
  • Average mass330.419 Da
  • Monoisotopic mass330.184204 Da
  • ChemSpider ID26331273

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1α,4aα,4bβ,10β)-1,4a-Dimethyl-8-methylenegibbane-1,10-dicarboxylate [ACD/IUPAC Name]
(1α,4aα,4bβ,10β)-1,4a-Diméthyl-8-méthylènegibbane-1,10-dicarboxylate [French] [ACD/IUPAC Name]
(1α,4aα,4bβ,10β)-1,4a-Dimethyl-8-methylengibban-1,10-dicarboxylat [German] [ACD/IUPAC Name]
Gibbane-1,10-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, ion(2-), (1α,4aα,4bβ,10β)- [ACD/Index Name]
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylate
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylate; 1β,4a-dimethyl-8-methylidene-4aα,4bβ-gibbane-1α,10β-dicarboxylate
1β,4a-dimethyl-8-methylidene-4aα,4bβ-gibbane-1α,10β-dicarboxylate
C20 skeleton
C20-GA skeleton
C20-GAs
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  • Miscellaneous

    • Chemical Class:

      A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A12. ChEBI CHEBI:58627

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

Density:
Boiling Point: 474.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.9±6.0 kJ/mol
Flash Point: 255.1±23.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 10.81
ACD/KOC (pH 5.5): 56.71
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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