ChemSpider 2D Image | (1S)-1,5-Anhydro-2-O-beta-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol | C27H29O15

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

  • Molecular FormulaC27H29O15
  • Average mass593.511 Da
  • Monoisotopic mass593.151184 Da
  • ChemSpider ID26330939

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2-O-β-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphényl)-4-oxo-7-oxydo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-β-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-β-D-glucopyranosyl-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]-2-O-β-D-glucopyranosyl-, ion(1-), (1S)- [ACD/Index Name]
-D-glucoside
vitexin 2''-O-&β
vitexin 2''-O-β-D-glucoside
vitexin 2''-O-β-D-glucoside anion
vitexin 2''-O-β-D-glucoside(1-)
  • Miscellaneous

    • Chemical Class:

      Conjugate base of vitexin 2''-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. ChEBI CHEBI:57842

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

Density:
Boiling Point: 947.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 314.7±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.42
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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