ChemSpider 2D Image | ranaconitine | C32H44N2O9

ranaconitine

  • Molecular FormulaC32H44N2O9
  • Average mass600.700 Da
  • Monoisotopic mass600.304688 Da
  • ChemSpider ID10202352

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1α,14α,16β)-20-ethyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-(acetylamino)benzoate
(1α,14α,16β)-20-Ethyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-acetamidobenzoate [ACD/IUPAC Name]
(1α,14α,16β)-20-Ethyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl-2-acetamidobenzoat [German] [ACD/IUPAC Name]
1360-76-5 [RN]
2-Acétamidobenzoate de (1α,14α,16β)-20-éthyl-7,8,9-trihydroxy-1,14,16-triméthoxyaconitan-4-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(acetylamino)-, (1α,14α,16β)-20-ethyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl ester [ACD/Index Name]
ranaconitine
MFCD11040788

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 758.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.0±3.0 kJ/mol
    Flash Point: 412.8±32.9 °C
    Index of Refraction: 1.637
    Molar Refractivity: 154.1±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 2.79
    ACD/LogD (pH 5.5): 2.71
    ACD/BCF (pH 5.5): 63.99
    ACD/KOC (pH 5.5): 633.80
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 82.94
    ACD/KOC (pH 7.4): 821.44
    Polar Surface Area: 147 Å2
    Polarizability: 61.1±0.5 10-24cm3
    Surface Tension: 67.7±5.0 dyne/cm
    Molar Volume: 429.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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