ChemSpider 2D Image | 7-Hydroxy-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-2-oxo-2H-chromen-4-olate | C21H18NO6

7-Hydroxy-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-2-oxo-2H-chromen-4-olate

  • Molecular FormulaC21H18NO6
  • Average mass380.371 Da
  • Monoisotopic mass380.113953 Da
  • ChemSpider ID29368111

  • Charge - Charge

More details:

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

7-Hydroxy-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-2-oxo-2H-chromen-4-olat [German] [ACD/IUPAC Name]
7-Hydroxy-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-2-oxo-2H-chromen-4-olate [ACD/IUPAC Name]
7-Hydroxy-3-{[4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzoyl]amino}-2-oxo-2H-chromén-4-olate [French] [ACD/IUPAC Name]
Benzamide, N-(4,7-dihydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)-, ion(1-) [ACD/Index Name]
7-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-2-oxo-2H-chromen-4-olate
8-demethylnovobiocic acid(1-)
8-desmethylnovobiocic acid
8-desmethylnovobiocic acid anion
8-desmethylnovobiocic acid(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of 8-desmethylnovobiocic acid. ChEBI CHEBI:73954

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

Density:
Boiling Point: 708.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 6.70
ACD/KOC (pH 5.5): 64.18
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement