ChemSpider 2D Image | Akuammine | C22H26N2O4

Akuammine

  • Molecular FormulaC22H26N2O4
  • Average mass382.453 Da
  • Monoisotopic mass382.189270 Da
  • ChemSpider ID24702943

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2β,15α,16R,19E)-10-Hydroxy-1-méthyl-1,2-dihydro-2,17-époxyakuammilan-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H,9H-6,3,8a-Ethanylylideneazocino[4',5':3,4]furo[2,3-b]indole-6a(7H)-carboxylic acid, 5-ethylidene-1,2,5,6-tetrahydro-12-hydroxy-9-methyl-, methyl ester, (5E,6R,6aR,8aS,13bS,14S)- [ACD/Index Name]
Akuammine [Wiki]
Methyl (2β,15α,16R,19E)-10-hydroxy-1-methyl-1,2-dihydro-2,17-epoxyakuammilan-16-carboxylate [ACD/IUPAC Name]
Methyl-(2β,15α,16R,19E)-10-hydroxy-1-methyl-1,2-dihydro-2,17-epoxyakuammilan-16-carboxylat [German] [ACD/IUPAC Name]
Vincamajoridine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL484665/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 564.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 294.9±30.1 °C
Index of Refraction: 1.684
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 4.17
ACD/KOC (pH 5.5): 46.61
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 47.11
ACD/KOC (pH 7.4): 526.41
Polar Surface Area: 62 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 271.7±5.0 cm3

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