ChemSpider 2D Image | (3alpha,13beta,19alpha)-1,2-Didehydrocrinan-3-ol | C16H17NO3

(3α,13β,19α)-1,2-Didehydrocrinan-3-ol

  • Molecular FormulaC16H17NO3
  • Average mass271.311 Da
  • Monoisotopic mass271.120850 Da
  • ChemSpider ID57582263

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3α,13β,19α)-1,2-Didehydrocrinan-3-ol [ACD/IUPAC Name]
(3α,13β,19α)-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-, (3R,4aS,11bR)- [ACD/Index Name]
25375-48-8 [RN]
3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridin-3-ol,4,4a-dihydro-, (3R,4aS,5R,11bR)- (9CI)
Epivittatine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 456.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.8±28.7 °C
Index of Refraction: 1.708
Molar Refractivity: 73.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 5.83
ACD/KOC (pH 7.4): 96.92
Polar Surface Area: 42 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 188.9±5.0 cm3

Click to predict properties on the Chemicalize site


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