ChemSpider 2D Image | (1alpha,3beta,4aalpha,4bbeta,10beta)-1-Formyl-3-hydroxy-4a-(hydroxymethyl)-1-methyl-8-methylenegibbane-10-carboxylate | C20H27O5

(1α,3β,4aα,4bβ,10β)-1-Formyl-3-hydroxy-4a-(hydroxymethyl)-1-methyl-8-methylenegibbane-10-carboxylate

  • Molecular FormulaC20H27O5
  • Average mass347.426 Da
  • Monoisotopic mass347.186401 Da
  • ChemSpider ID128920454

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1α,3β,4aα,4bβ,10β)-1-Formyl-3-hydroxy-4a-(hydroxymethyl)-1-methyl-8-methylenegibbane-10-carboxylate [ACD/IUPAC Name]
(1α,3β,4aα,4bβ,10β)-1-Formyl-3-hydroxy-4a-(hydroxyméthyl)-1-méthyl-8-méthylènegibbane-10-carboxylate [French] [ACD/IUPAC Name]
(1α,3β,4aα,4bβ,10β)-1-Formyl-3-hydroxy-4a-(hydroxymethyl)-1-methyl-8-methylengibban-10-carboxylat [German] [ACD/IUPAC Name]
Gibbane-10-carboxylic acid, 1-formyl-3-hydroxy-4a-(hydroxymethyl)-1-methyl-8-methylene-, ion(1-), (1α,3β,4aα,4bβ,10β)- [ACD/Index Name]
GA98
GA98
gibberellin A98
Gibberellin A98

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

Density:
Boiling Point: 545.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 297.9±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.24
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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