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Search term: CPCPHNWWTJLXKQ-UHFFFAOYSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | 5-Hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-7-olate | C18H15O7

5-Hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-7-olate

  • Molecular FormulaC18H15O7
  • Average mass343.308 Da
  • Monoisotopic mass343.082336 Da
  • ChemSpider ID26331792
  • Charge - Charge


More details:






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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-, ion(1-) [ACD/Index Name]
5-Hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-7-olat [German] [ACD/IUPAC Name]
5-Hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-7-olate [ACD/IUPAC Name]
5-Hydroxy-4-oxo-2-(3,4,5-triméthoxyphényl)-4H-chromén-7-olate [French] [ACD/IUPAC Name]
3',4',5'-O-trimethyltricetin
3',4',5'-O-trimethyltricetin
3',4',5'-O-trimethyltricetin(1-)
  • Miscellaneous
    • Chemical Class:

      The conjugate base of 3',4',5'-O-trimethyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3. ChEBI CHEBI:60020

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

Density:
Boiling Point: 562.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 206.2±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 71.96
ACD/KOC (pH 5.5): 712.50
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 47.08
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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