ChemSpider 2D Image | Alstolobine A, (rel)- | C22H26N2O5

Alstolobine A, (rel)-

  • Molecular FormulaC22H26N2O5
  • Average mass398.452 Da
  • Monoisotopic mass398.184174 Da
  • ChemSpider ID26390294

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3aR,7aS)-3-(1H-Indol-2-yl)-7a-vinylhexahydrofuro[2,3-c]pyridine-3,6(2H)-dicarboxylate de 6-éthyle et de 3-méthyle [French] [ACD/IUPAC Name]
6-Ethyl 3-methyl (3S,3aR,7aS)-3-(1H-indol-2-yl)-7a-vinylhexahydrofuro[2,3-c]pyridine-3,6(2H)-dicarboxylate [ACD/IUPAC Name]
6-Ethyl-3-methyl-(3S,3aR,7aS)-3-(1H-indol-2-yl)-7a-vinylhexahydrofuro[2,3-c]pyridin-3,6(2H)-dicarboxylat [German] [ACD/IUPAC Name]
Alstolobine A, (rel)-
Furo[2,3-c]pyridine-3,6(2H)-dicarboxylic acid, 7a-ethenylhexahydro-3-(1H-indol-2-yl)-, 6-ethyl 3-methyl ester, (3S,3aR,7aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.1±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 185.00
ACD/KOC (pH 5.5): 1460.32
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.00
ACD/KOC (pH 7.4): 1460.32
Polar Surface Area: 81 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 305.2±3.0 cm3

Click to predict properties on the Chemicalize site


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