ChemSpider 2D Image | Isotrilobine | C36H36N2O5

Isotrilobine

  • Molecular FormulaC36H36N2O5
  • Average mass576.681 Da
  • Monoisotopic mass576.262451 Da
  • ChemSpider ID10343047

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-isotrilobine
(+)-iso-Trilobine
(1'α)-6,12'-Dimethoxy-2,2'-dimethyl-6',7-epoxyoxyacanthan [ACD/IUPAC Name]
(1'α)-6,12'-Dimethoxy-2,2'-dimethyl-6',7-epoxyoxyacanthan [German] [ACD/IUPAC Name]
(1'α)-6,12'-Diméthoxy-2,2'-diméthyl-6',7-époxyoxyacanthan [French] [ACD/IUPAC Name]
26195-62-0 [RN]
Homotrilobine
Isotrilobine
N-Methyltrilobine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503241/

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

WIB21F188O [DBID]
UNII:WIB21F188O [DBID]
UNII-WIB21F188O [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 9.37
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 3518.89
ACD/KOC (pH 7.4): 8405.58
Polar Surface Area: 53 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 467.8±3.0 cm3

Click to predict properties on the Chemicalize site


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