ChemSpider 2D Image | Protopanaxatriol | C29H50O4

Protopanaxatriol

  • Molecular FormulaC29H50O4
  • Average mass462.705 Da
  • Monoisotopic mass462.370911 Da
  • ChemSpider ID29272133

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,6α,12β,14β)-4,4,14-Trimethyl-18-norcholest-24-en-3,6,12,20-tetrol [German] [ACD/IUPAC Name]
(3β,6α,12β,14β)-4,4,14-Trimethyl-18-norcholest-24-ene-3,6,12,20-tetrol [ACD/IUPAC Name]
(3β,6α,12β,14β)-4,4,14-Triméthyl-18-norcholest-24-ène-3,6,12,20-tétrol [French] [ACD/IUPAC Name]
34080-08-5 [RN]
Gonane-3,6,12-triol, 17-[(1S)-1-hydroxy-1,5-dimethyl-4-hexen-1-yl]-4,4,10,14-tetramethyl-, (3β,6α,12β,14β,17β)- [ACD/Index Name]
Protopanaxatriol [Wiki]
(20S)-Protopanaxatriol
20(S)-APPTg-PPT
20S-Protopanaxatriol
Protopanaxtriol

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 588.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±6.0 kJ/mol
    Flash Point: 242.9±24.7 °C
    Index of Refraction: 1.541
    Molar Refractivity: 134.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.41
    ACD/LogD (pH 5.5): 4.99
    ACD/BCF (pH 5.5): 3685.82
    ACD/KOC (pH 5.5): 12431.37
    ACD/LogD (pH 7.4): 4.99
    ACD/BCF (pH 7.4): 3685.82
    ACD/KOC (pH 7.4): 12431.37
    Polar Surface Area: 81 Å2
    Polarizability: 53.1±0.5 10-24cm3
    Surface Tension: 43.3±3.0 dyne/cm
    Molar Volume: 426.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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