ChemSpider 2D Image | 1,4,7-EUDESMANETRIOL | C15H28O3

1,4,7-EUDESMANETRIOL

  • Molecular FormulaC15H28O3
  • Average mass256.381 Da
  • Monoisotopic mass256.203857 Da
  • ChemSpider ID29365081

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-diméthyldécahydro-1,4,6-naphtalènetriol [French] [ACD/IUPAC Name]
(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydro-1,4,6-naphthalenetriol [ACD/IUPAC Name]
(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydro-1,4,6-naphthalintriol [German] [ACD/IUPAC Name]
1,4,6-Naphthalenetriol, decahydro-4,8a-dimethyl-6-(1-methylethyl)-, (4R,4aR,6S,8aR)- [ACD/Index Name]
1,4,7-EUDESMANETRIOL
145400-02-8 [RN]
(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,6-triol
[145400-02-8] [RN]
MFCD17214908
MFCD26793448

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 375.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±6.0 kJ/mol
    Flash Point: 170.5±22.5 °C
    Index of Refraction: 1.529
    Molar Refractivity: 71.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 2.08
    ACD/BCF (pH 5.5): 22.46
    ACD/KOC (pH 5.5): 322.81
    ACD/LogD (pH 7.4): 2.08
    ACD/BCF (pH 7.4): 22.46
    ACD/KOC (pH 7.4): 322.81
    Polar Surface Area: 61 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 45.6±3.0 dyne/cm
    Molar Volume: 233.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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