ChemSpider 2D Image | Methyl tanshinonate | C20H18O5

Methyl tanshinonate

  • Molecular FormulaC20H18O5
  • Average mass338.354 Da
  • Monoisotopic mass338.115417 Da
  • ChemSpider ID24735284

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-1,6-Diméthyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophénanthro[1,2-b]furane-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
18887-19-9 [RN]
Methyl (6S)-1,6-dimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-6-carboxylate [ACD/IUPAC Name]
Methyl tanshinonate
Methyl-(6S)-1,6-dimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-6-carboxylat [German] [ACD/IUPAC Name]
Phenanthro[1,2-b]furan-6-carboxylic acid, 6,7,8,9,10,11-hexahydro-1,6-dimethyl-10,11-dioxo-, methyl ester, (6S)- [ACD/Index Name]
methyl (-)-(S)-tanshinonate
methyl (6S)-1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate
Methyltanshinonate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 523.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.7±3.0 kJ/mol
    Flash Point: 270.3±30.1 °C
    Index of Refraction: 1.591
    Molar Refractivity: 88.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 555.14
    ACD/KOC (pH 5.5): 3206.60
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 555.14
    ACD/KOC (pH 7.4): 3206.60
    Polar Surface Area: 74 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 261.0±3.0 cm3

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