ChemSpider 2D Image | (8beta,9beta)-6,8-Dimethylergolin-6-ium-9-yl acetate | C18H23N2O2

(8β,9β)-6,8-Dimethylergolin-6-ium-9-yl acetate

  • Molecular FormulaC18H23N2O2
  • Average mass299.387 Da
  • Monoisotopic mass299.175415 Da
  • ChemSpider ID28533134

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8β,9β)-6,8-Dimethylergolin-6-ium-9-yl acetate [ACD/IUPAC Name]
(8β,9β)-6,8-Dimethylergolin-6-ium-9-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8β,9β)-6,8-diméthylergolin-6-ium-9-yle [French] [ACD/IUPAC Name]
Ergolin-9-ol, 6,8-dimethyl-, acetate (ester), conjugate monoacid, (8β,9β)- [ACD/Index Name]
Fumigaclavine A
fumigaclavine A(1+)
  • Miscellaneous

    • Chemical Class:

      An ammonium ion obtained by the protonation of the tertiary amino group of fumigaclavine A; major species at pH 7.3. ChEBI CHEBI:67145

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

Density:
Boiling Point: 456.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.2±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 2.64
ACD/KOC (pH 5.5): 20.28
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 100.68
ACD/KOC (pH 7.4): 773.96
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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