ChemSpider 2D Image | Hydroxy{3-hydroxy-5-oxo-4-[(3,4,5-trihydroxybenzoyl)oxy]tetrahydro-2-furanyl}acetic acid (non-preferred name) | C13H12O11

Hydroxy{3-hydroxy-5-oxo-4-[(3,4,5-trihydroxybenzoyl)oxy]tetrahydro-2-furanyl}acetic acid (non-preferred name)

  • Molecular FormulaC13H12O11
  • Average mass344.228 Da
  • Monoisotopic mass344.037964 Da
  • ChemSpider ID35014382

More details:

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

Acide hydroxy{3-hydroxy-5-oxo-4-[(3,4,5-trihydroxybenzoyl)oxy]tétrahydro-2-furanyl}acétique (non-preferred name) [French] [ACD/IUPAC Name]
Hydroxy{3-hydroxy-5-oxo-4-[(3,4,5-trihydroxybenzoyl)oxy]tetrahydro-2-furanyl}acetic acid (non-preferred name) [ACD/IUPAC Name]
Hydroxy{3-hydroxy-5-oxo-4-[(3,4,5-trihydroxybenzoyl)oxy]tetrahydro-2-furanyl}essigsäure (non-preferred name) [German] [ACD/IUPAC Name]
2-O-Galloyl-1,4-galactarolactone
hydroxy[3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid

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

Density: 2.0±0.1 g/cm3
Boiling Point: 895.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 335.6±27.8 °C
Index of Refraction: 1.731
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 136.5±5.0 dyne/cm
Molar Volume: 175.3±5.0 cm3

Click to predict properties on the Chemicalize site


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