ChemSpider 2D Image | Tetuin | C21H20O10

Tetuin

  • Molecular FormulaC21H20O10
  • Average mass432.378 Da
  • Monoisotopic mass432.105652 Da
  • ChemSpider ID58802100

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

28279-72-3 [RN]
4H-1-Benzopyran-4-one, 6-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-phenyl- [ACD/Index Name]
5,7-Dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Baicalein 6-O-β-D-glucopyranoside
Tetuin
β-D-Glucopyranoside de 5,7-dihydroxy-4-oxo-2-phényl-4H-chromén-6-yle [French] [ACD/IUPAC Name]
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Baicalein 6-glucoside
baicalein 6-o-glucoside

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 783.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 119.6±3.0 kJ/mol
    Flash Point: 278.9±26.4 °C
    Index of Refraction: 1.717
    Molar Refractivity: 103.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -0.43
    ACD/LogD (pH 5.5): -0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.42
    ACD/LogD (pH 7.4): -2.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 166 Å2
    Polarizability: 41.1±0.5 10-24cm3
    Surface Tension: 91.4±3.0 dyne/cm
    Molar Volume: 263.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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