ChemSpider 2D Image | 2,6-Dideoxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-C-methylhexonic acid | C17H22O9

2,6-Dideoxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-C-methylhexonic acid

  • Molecular FormulaC17H22O9
  • Average mass370.351 Da
  • Monoisotopic mass370.126373 Da
  • ChemSpider ID28499557

More details:

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

2,6-Dideoxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-C-methylhexonic acid [ACD/IUPAC Name]
2,6-Didesoxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-C-methylhexonsäure [German] [ACD/IUPAC Name]
Acide 2,6-didésoxy-6-(4-hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-C-méthylhexonique [French] [ACD/IUPAC Name]
Hexonic acid, 2,6-dideoxy-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-C-methyl- [ACD/Index Name]
penicacid C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 275.8±26.4 °C
Index of Refraction: 1.625
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 248.1±3.0 cm3

Click to predict properties on the Chemicalize site


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