ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-D-glucitol | C30H26O12

(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-D-glucitol

  • Molecular FormulaC30H26O12
  • Average mass578.520 Da
  • Monoisotopic mass578.142456 Da
  • ChemSpider ID57257150

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yl]-2-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-, (1S)- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
1229437-79-9 [RN]
59282-55-2 [RN]
Vitexin 2''-O-p-coumarate
vitexin-2-o-p-trans-coumarate
Vitexin-2''-O-p-trans-coumarate

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 884.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 134.6±3.0 kJ/mol
    Flash Point: 292.8±27.8 °C
    Index of Refraction: 1.766
    Molar Refractivity: 143.3±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 7
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 35.26
    ACD/KOC (pH 5.5): 405.23
    ACD/LogD (pH 7.4): 0.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 9.33
    Polar Surface Area: 203 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 107.3±5.0 dyne/cm
    Molar Volume: 346.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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