ChemSpider 2D Image | (3alpha,13beta)-3-Methoxy-1,2-didehydrocrinan | C17H19NO3

(3α,13β)-3-Methoxy-1,2-didehydrocrinan

  • Molecular FormulaC17H19NO3
  • Average mass285.338 Da
  • Monoisotopic mass285.136505 Da
  • ChemSpider ID57641860
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3α,13β)-3-Methoxy-1,2-didehydrocrinan [ACD/IUPAC Name]
(3α,13β)-3-Méthoxy-1,2-didéhydrocrinan [French] [ACD/IUPAC Name]
3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine, 4,4a-dihydro-3-methoxy-, (3R,4aS,11bS)- [ACD/Index Name]
6835-79-6 [RN]
Epibuphanisine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 417.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 127.0±25.9 °C
Index of Refraction: 1.655
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.55
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 18.83
ACD/KOC (pH 7.4): 244.03
Polar Surface Area: 31 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 213.9±5.0 cm3

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