ChemSpider 2D Image | (15beta)-21-(2-Hydroxyethyl)-4-methylatid-16-en-15-ol | C22H35NO2

(15β)-21-(2-Hydroxyethyl)-4-methylatid-16-en-15-ol

  • Molecular FormulaC22H35NO2
  • Average mass345.519 Da
  • Monoisotopic mass345.266785 Da
  • ChemSpider ID28945069

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(15β)-21-(2-Hydroxyethyl)-4-methylatid-16-en-15-ol [German] [ACD/IUPAC Name]
(15β)-21-(2-Hydroxyethyl)-4-methylatid-16-en-15-ol [ACD/IUPAC Name]
(15β)-21-(2-Hydroxyéthyl)-4-méthylatid-16-én-15-ol [French] [ACD/IUPAC Name]
1H,7H-6a,9-Ethano-4,10b-propanobenz[h]isoquinoline-2(3H)-ethanol, octahydro-7-hydroxy-4-methyl-8-methylene-, (4R,4aR,6aS,7R,10aS,10bS)- [ACD/Index Name]
Dihydroatisine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 498.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 88.3±6.0 kJ/mol
    Flash Point: 246.1±27.4 °C
    Index of Refraction: 1.592
    Molar Refractivity: 100.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.14
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.04
    ACD/LogD (pH 7.4): 2.34
    ACD/BCF (pH 7.4): 13.31
    ACD/KOC (pH 7.4): 70.39
    Polar Surface Area: 44 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 50.8±5.0 dyne/cm
    Molar Volume: 296.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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