ChemSpider 2D Image | (3beta)-7-Methoxy-1,2-didehydrocrinan-3-ol | C17H19NO4

(3β)-7-Methoxy-1,2-didehydrocrinan-3-ol

  • Molecular FormulaC17H19NO4
  • Average mass301.337 Da
  • Monoisotopic mass301.131409 Da
  • ChemSpider ID74099348
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3β)-7-Methoxy-1,2-didehydrocrinan-3-ol [ACD/IUPAC Name]
(3β)-7-Méthoxy-1,2-didéhydrocrinan-3-ol [French] [ACD/IUPAC Name]
3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridin-3-ol, 4,4a-dihydro-7-methoxy-, (3S,4aR,11bS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 493.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.4±28.7 °C
Index of Refraction: 1.684
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: 2.00
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.77
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 10.21
ACD/KOC (pH 7.4): 161.97
Polar Surface Area: 51 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 210.8±5.0 cm3

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