ChemSpider 2D Image | 6-[(2,7-Dihydroxy-5-methyl-4-oxo-3,4-dihydro-2H-chromen-2-yl)methyl]-2-oxo-2H-pyran-4-olate | C16H13O7

6-[(2,7-Dihydroxy-5-methyl-4-oxo-3,4-dihydro-2H-chromen-2-yl)methyl]-2-oxo-2H-pyran-4-olate

  • Molecular FormulaC16H13O7
  • Average mass317.271 Da
  • Monoisotopic mass317.066681 Da
  • ChemSpider ID24785684

  • Charge - Charge

More details:

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

4H-1-Benzopyran-4-one, 2,3-dihydro-2,7-dihydroxy-2-[(4-hydroxy-2-oxo-2H-pyran-6-yl)methyl]-5-methyl-, ion(1-) [ACD/Index Name]
6-[(2,7-Dihydroxy-5-methyl-4-oxo-3,4-dihydro-2H-chromen-2-yl)methyl]-2-oxo-2H-pyran-4-olat [German] [ACD/IUPAC Name]
6-[(2,7-Dihydroxy-5-methyl-4-oxo-3,4-dihydro-2H-chromen-2-yl)methyl]-2-oxo-2H-pyran-4-olate [ACD/IUPAC Name]
6-[(2,7-Dihydroxy-5-méthyl-4-oxo-3,4-dihydro-2H-chromén-2-yl)méthyl]-2-oxo-2H-pyran-4-olate [French] [ACD/IUPAC Name]
octoketide 4b
SEK4b

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

Density:
Boiling Point: 645.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 244.5±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.15
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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