ChemSpider 2D Image | (1alpha,5beta,7alpha,8alpha,9beta,10alpha,13alpha,14R)-1,7,14,20-Tetrahydroxykaur-16-en-15-one | C20H30O5

(1α,5β,7α,8α,9β,10α,13α,14R)-1,7,14,20-Tetrahydroxykaur-16-en-15-one

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID24696290

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1α,5β,7α,8α,9β,10α,13α,14R)-1,7,14,20-Tetrahydroxykaur-16-en-15-on [German] [ACD/IUPAC Name]
(1α,5β,7α,8α,9β,10α,13α,14R)-1,7,14,20-Tetrahydroxykaur-16-en-15-one [ACD/IUPAC Name]
(1α,5β,7α,8α,9β,10α,13α,14R)-1,7,14,20-Tétrahydroxykaur-16-én-15-one [French] [ACD/IUPAC Name]
73981-34-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472436/
kamebakaurin
kamebakaurine

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 563.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±6.0 kJ/mol
    Flash Point: 308.6±26.6 °C
    Index of Refraction: 1.602
    Molar Refractivity: 92.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.02
    ACD/LogD (pH 5.5): 1.07
    ACD/BCF (pH 5.5): 3.84
    ACD/KOC (pH 5.5): 91.19
    ACD/LogD (pH 7.4): 1.07
    ACD/BCF (pH 7.4): 3.84
    ACD/KOC (pH 7.4): 91.19
    Polar Surface Area: 98 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 60.1±5.0 dyne/cm
    Molar Volume: 268.8±5.0 cm3

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