ChemSpider 2D Image | 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate | C21H19O10

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC21H19O10
  • Average mass431.370 Da
  • Monoisotopic mass431.098358 Da
  • ChemSpider ID128919949

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
afzelin(1-)
Kaempferol 3-O-α-L-rhamnoside
kaempferol 3-O-α-L-rhamnoside(1-)
kaempferol-3-<i&gt;O</i>-&;α
kaempferol-3-O-rhamnopyranoside
kaempferol-3-rhamnoside
More...
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxonion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of afzelin (kaempferol 3-O-alpha-L-rhamnoside). The major species at pH 7.3. ChEBI CHEBI:144433

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

Density:
Boiling Point: 765.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 272.4±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 100.70
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.28
Polar Surface Area: 169 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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