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Search term: 58828646 (Found by CSID)
ChemSpider 2D Image | fumigaclavine D | C22H28N2O2

fumigaclavine D

  • Molecular FormulaC22H28N2O2
  • Average mass352.470 Da
  • Monoisotopic mass352.215088 Da
  • ChemSpider ID58828646

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8R,9S)-norfumigaclavine C
(8α,9β)-8-Methyl-2-(2-methyl-3-buten-2-yl)ergolin-9-yl acetate [ACD/IUPAC Name]
(8α,9β)-8-Methyl-2-(2-methyl-3-buten-2-yl)ergolin-9-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8α,9β)-8-méthyl-2-(2-méthyl-3-butén-2-yl)ergolin-9-yle [French] [ACD/IUPAC Name]
Ergolin-9-ol, 2-(1,1-dimethyl-2-propen-1-yl)-8-methyl-, acetate (ester), (8α,9β)- [ACD/Index Name]
fumigaclavine D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 501.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.8±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 104.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 6.75
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 15.39
ACD/KOC (pH 7.4): 63.17
Polar Surface Area: 54 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 302.6±5.0 cm3

Click to predict properties on the Chemicalize site


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