ChemSpider 2D Image | (3R,5R)-1,3,4,5-Tetrahydroxy-3-(3,4,5-trihydroxybenzoyl)cyclohexanecarboxylic acid | C14H16O10

(3R,5R)-1,3,4,5-Tetrahydroxy-3-(3,4,5-trihydroxybenzoyl)cyclohexanecarboxylic acid

  • Molecular FormulaC14H16O10
  • Average mass344.271 Da
  • Monoisotopic mass344.074341 Da
  • ChemSpider ID67490958

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3R,5R)-1,3,4,5-Tetrahydroxy-3-(3,4,5-trihydroxybenzoyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(3R,5R)-1,3,4,5-Tetrahydroxy-3-(3,4,5-trihydroxybenzoyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (3R,5R)-1,3,4,5-tétrahydroxy-3-(3,4,5-trihydroxybenzoyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-3-(3,4,5-trihydroxybenzoyl)-, (3R,5R)- [ACD/Index Name]
3-Galloylchinas??ure

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

Density: 2.0±0.1 g/cm3
Boiling Point: 787.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 444.0±29.4 °C
Index of Refraction: 1.801
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 158.9±3.0 dyne/cm
Molar Volume: 175.8±3.0 cm3

Click to predict properties on the Chemicalize site


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