ChemSpider 2D Image | (4aS,6aR,8S,13bS)-8-Ethoxy-3-methoxy-5-methyl-1,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[6,7]isochromeno[3,4-c]indole | C20H25NO5

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

  • Molecular FormulaC20H25NO5
  • Average mass359.416 Da
  • Monoisotopic mass359.173279 Da
  • ChemSpider ID57641861

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,6aR,8S,13bS)-8-Ethoxy-3-methoxy-5-methyl-1,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[6,7]isochromeno[3,4-c]indol [German] [ACD/IUPAC Name]
(4aS,6aR,8S,13bS)-8-Ethoxy-3-methoxy-5-methyl-1,4,4a,5,6,6a-hexahydro-8H-[1,3]dioxolo[6,7]isochromeno[3,4-c]indole [ACD/IUPAC Name]
(4aS,6aR,8S,13bS)-8-Éthoxy-3-méthoxy-5-méthyl-1,4,4a,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-1,4,4a,5,6,6a-hexahydro-3-methoxy-5-methyl-, (4aS,6aR,8S,13bS)- [ACD/Index Name]
250282-46-3 [RN]
Ethoxyprecriwelline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 491.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 143.8±25.9 °C
Index of Refraction: 1.612
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.13
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 11.47
ACD/KOC (pH 7.4): 147.04
Polar Surface Area: 49 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 275.1±5.0 cm3

Click to predict properties on the Chemicalize site


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