ChemSpider 2D Image | Engeletin | C21H22O11

Engeletin

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID29365128

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl α-L-mannopyranoside [ACD/IUPAC Name]
(2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(α-L-mannopyranosyloxy)-, (2R,3R)- [ACD/Index Name]
572-31-6 [RN]
Engeletin
α-L-Mannopyranoside de (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
(2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
[572-31-6] [RN]
Astilbin [Wiki]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 820.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.0±3.0 kJ/mol
    Flash Point: 289.5±27.8 °C
    Index of Refraction: 1.746
    Molar Refractivity: 105.0±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 7
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 0.25
    ACD/LogD (pH 5.5): 0.34
    ACD/BCF (pH 5.5): 1.06
    ACD/KOC (pH 5.5): 36.08
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.19
    Polar Surface Area: 186 Å2
    Polarizability: 41.6±0.5 10-24cm3
    Surface Tension: 112.9±5.0 dyne/cm
    Molar Volume: 258.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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