ChemSpider 2D Image | (3R,4aR,6aS,8R,13bR)-8-Ethoxy-3-methoxy-3,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[6,7]isochromeno[3,4-c]indole | C19H23NO5

(3R,4aR,6aS,8R,13bR)-8-Ethoxy-3-methoxy-3,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[6,7]isochromeno[3,4-c]indole

  • Molecular FormulaC19H23NO5
  • Average mass345.390 Da
  • Monoisotopic mass345.157623 Da
  • ChemSpider ID57641862

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,4aR,6aS,8R,13bR)-8-Ethoxy-3-methoxy-3,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[6,7]isochromeno[3,4-c]indol [German] [ACD/IUPAC Name]
(3R,4aR,6aS,8R,13bR)-8-Ethoxy-3-methoxy-3,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[6,7]isochromeno[3,4-c]indole [ACD/IUPAC Name]
(3R,4aR,6aS,8R,13bR)-8-Éthoxy-3-méthoxy-3,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[6,7]isochroméno[3,4-c]indole [French] [ACD/IUPAC Name]
8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indole, 8-ethoxy-3,4,4a,5,6,6a-hexahydro-3-methoxy-, (3R,4aR,6aS,8R,13bR)- [ACD/Index Name]
727416-49-1 [RN]
N-Demethyl-8[α]-ethoxypretazettine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 200.6±18.2 °C
Index of Refraction: 1.614
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 34.19
Polar Surface Area: 58 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 260.9±5.0 cm3

Click to predict properties on the Chemicalize site


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