ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol | C21H19O10

(1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol

  • Molecular FormulaC21H19O10
  • Average mass431.370 Da
  • Monoisotopic mass431.098358 Da
  • ChemSpider ID26330984

  • Charge - Charge

    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-hydroxy-2-(4-hydroxyphényl)-4-oxo-7-oxydo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-, ion(1-), (1S)- [ACD/Index Name]
8C-hexosyl apigenin
apigenin 8-C-glucoside
vitexin [Wiki]
vitexin anion
vitexin-7-olate
vitexin-7-olate anion
More...
  • Miscellaneous

    • Chemical Class:

      Conjugate base of vitexin arising from deprotonation of the 7-hydroxy group; major species at pH 7.3. ChEBI CHEBI:57963

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

Density:
Boiling Point: 767.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 273.1±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 61.37
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 180 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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