ChemSpider 2D Image | 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olate | C21H19O12

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

  • Molecular FormulaC21H19O12
  • Average mass463.369 Da
  • Monoisotopic mass463.088196 Da
  • ChemSpider ID128919948

  • 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-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olate [ACD/IUPAC Name]
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, ion(1-) [ACD/Index Name]
Myricetin 3-O-α-L-rhamnoside
myricitrin anion
myricitrin(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion that is the conjugate base of myricitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. ChEBI CHEBI:144432

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

Density:
Boiling Point: 896.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 315.7±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 48.66
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 209 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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