ChemSpider 2D Image | (1alpha,2beta,4aalpha,4bbeta,10beta)-10-Formyl-2-hydroxy-1,4a-dimethyl-8-methylenegibbane-1-carboxylate | C20H27O4

(1α,2β,4aα,4bβ,10β)-10-Formyl-2-hydroxy-1,4a-dimethyl-8-methylenegibbane-1-carboxylate

  • Molecular FormulaC20H27O4
  • Average mass331.427 Da
  • Monoisotopic mass331.191498 Da
  • ChemSpider ID128921017

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1α,2β,4aα,4bβ,10β)-10-Formyl-2-hydroxy-1,4a-dimethyl-8-methylenegibbane-1-carboxylate [ACD/IUPAC Name]
(1α,2β,4aα,4bβ,10β)-10-Formyl-2-hydroxy-1,4a-diméthyl-8-méthylènegibbane-1-carboxylate [French] [ACD/IUPAC Name]
(1α,2β,4aα,4bβ,10β)-10-Formyl-2-hydroxy-1,4a-dimethyl-8-methylengibban-1-carboxylat [German] [ACD/IUPAC Name]
Gibbane-1-carboxylic acid, 10-formyl-2-hydroxy-1,4a-dimethyl-8-methylene-, ion(1-), (1α,2β,4aα,4bβ,10β)- [ACD/Index Name]
GA14-aldehyde
GA14-aldehyde
gibberellin A14-aldehyde

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

Density:
Boiling Point: 496.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 268.2±25.2 °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: 3.28
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 41.91
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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