ChemSpider 2D Image | (13alpha)-13-Hydroxy-3,4,5,6-tetradehydrospartein-2-one | C15H20N2O2

(13α)-13-Hydroxy-3,4,5,6-tetradehydrospartein-2-one

  • Molecular FormulaC15H20N2O2
  • Average mass260.332 Da
  • Monoisotopic mass260.152466 Da
  • ChemSpider ID30771685

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(13α)-13-Hydroxy-3,4,5,6-tetradehydrospartein-2-on [German] [ACD/IUPAC Name]
(13α)-13-Hydroxy-3,4,5,6-tetradehydrospartein-2-one [ACD/IUPAC Name]
(13α)-13-Hydroxy-3,4,5,6-tétradéhydrospartéin-2-one [French] [ACD/IUPAC Name]
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, 1,3,4,6,7,13,14,14a-octahydro-2-hydroxy-, (2S)- [ACD/Index Name]
baptifoline

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 273.2±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 44 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 197.3±5.0 cm3

Click to predict properties on the Chemicalize site


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