ChemSpider 2D Image | (2S)-4-(4,6-Dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbutanoic acid | C14H16O6

(2S)-4-(4,6-Dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbutanoic acid

  • Molecular FormulaC14H16O6
  • Average mass280.273 Da
  • Monoisotopic mass280.094696 Da
  • ChemSpider ID24629961

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
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(2S)-4-(4,6-Dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbutanoic acid [ACD/IUPAC Name]
(2S)-4-(4,6-Dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbutansäure [German] [ACD/IUPAC Name]
5-Isobenzofuranbutanoic acid, 1,3-dihydro-4,6-dihydroxy-α,7-dimethyl-3-oxo-, (αS)- [ACD/Index Name]
Acide (2S)-4-(4,6-dihydroxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-méthylbutanoïque [French] [ACD/IUPAC Name]
euparvic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 240.7±25.0 °C
Index of Refraction: 1.621
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 64.38
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 196.5±3.0 cm3

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