ChemSpider 2D Image | (7aR)-4,9,10-Trimethoxy-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline | C20H21NO5

(7aR)-4,9,10-Trimethoxy-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline

  • Molecular FormulaC20H21NO5
  • Average mass355.384 Da
  • Monoisotopic mass355.141968 Da
  • ChemSpider ID24689077

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(7aR)-4,9,10-Trimethoxy-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]chinolin [German] [ACD/IUPAC Name]
(7aR)-4,9,10-Triméthoxy-6,7,7a,8-tétrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoléine [French] [ACD/IUPAC Name]
(7aR)-4,9,10-Trimethoxy-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline [ACD/IUPAC Name]
5H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinoline, 6,7,7a,8-tetrahydro-4,9,10-trimethoxy-, (7aR)- [ACD/Index Name]
desmorostratine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL456407/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 217.4±19.6 °C
Index of Refraction: 1.605
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 12.72
ACD/KOC (pH 5.5): 96.68
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 176.25
ACD/KOC (pH 7.4): 1339.62
Polar Surface Area: 58 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 277.0±3.0 cm3

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