ChemSpider 2D Image | (4beta,7alpha)-4-Hydroxy-11,12,13,14-tetradehydrospartein-15-one | C15H20N2O2

(4β,7α)-4-Hydroxy-11,12,13,14-tetradehydrospartein-15-one

  • Molecular FormulaC15H20N2O2
  • Average mass260.332 Da
  • Monoisotopic mass260.152466 Da
  • ChemSpider ID64858248

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4β,7α)-4-Hydroxy-11,12,13,14-tetradehydrospartein-15-on [German] [ACD/IUPAC Name]
(4β,7α)-4-Hydroxy-11,12,13,14-tetradehydrospartein-15-one [ACD/IUPAC Name]
(4β,7α)-4-Hydroxy-11,12,13,14-tétradéhydrospartéin-15-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,14R,14aR)- [ACD/Index Name]
732-50-3 [RN]
baptifoline

    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

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