ChemSpider 2D Image | Hericirine | C29H39NO

Hericirine

  • Molecular FormulaC29H39NO
  • Average mass417.626 Da
  • Monoisotopic mass417.303162 Da
  • ChemSpider ID34485433

  • 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

(5aR,6R,8aR)-6-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-5a-methyl-3-(2-phenylethyl)-5,5a,6,7,8,8a-hexahydrocyclopenta[e]indol-2(3H)-on [German] [ACD/IUPAC Name]
(5aR,6R,8aR)-6-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-5a-methyl-3-(2-phenylethyl)-5,5a,6,7,8,8a-hexahydrocyclopenta[e]indol-2(3H)-one [ACD/IUPAC Name]
(5aR,6R,8aR)-6-[(2R,3E,5R)-5,6-Diméthyl-3-heptén-2-yl]-5a-méthyl-3-(2-phényléthyl)-5,5a,6,7,8,8a-hexahydrocyclopenta[e]indol-2(3H)-one [French] [ACD/IUPAC Name]
Cyclopent[e]indol-2(3H)-one, 5,5a,6,7,8,8a-hexahydro-5a-methyl-3-(2-phenylethyl)-6-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (5aR,6R,8aR)- [ACD/Index Name]
Hericirine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 258.8±15.5 °C
Index of Refraction: 1.574
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 140022.80
ACD/KOC (pH 5.5): 167967.94
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 140022.80
ACD/KOC (pH 7.4): 167967.94
Polar Surface Area: 20 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 395.0±5.0 cm3

Click to predict properties on the Chemicalize site


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