ChemSpider 2D Image | (3alpha,11R,13beta)-3-Methoxy-1,2-didehydrocrinan-11-ol | C17H19NO4

(3α,11R,13β)-3-Methoxy-1,2-didehydrocrinan-11-ol

  • Molecular FormulaC17H19NO4
  • Average mass301.337 Da
  • Monoisotopic mass301.131409 Da
  • ChemSpider ID25054189
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3α,11R,13β)-3-Methoxy-1,2-didehydrocrinan-11-ol [ACD/IUPAC Name]
(3α,11R,13β)-3-Méthoxy-1,2-didéhydrocrinan-11-ol [French] [ACD/IUPAC Name]
3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol, 4,4a-dihydro-3-methoxy-, (3R,4aS,11bR,12R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 467.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 236.6±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 23.52
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 103.64
Polar Surface Area: 51 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 211.9±5.0 cm3

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