ChemSpider 2D Image | 5-Bromo-6-chloro-7H-indol-3-yl beta-L-glucopyranosiduronic acid | C14H13BrClNO7

5-Bromo-6-chloro-7H-indol-3-yl β-L-glucopyranosiduronic acid

  • Molecular FormulaC14H13BrClNO7
  • Average mass422.612 Da
  • Monoisotopic mass420.956390 Da
  • ChemSpider ID110095206

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Brom-6-chlor-7H-indol-3-yl-β-L-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
5-Bromo-6-chloro-7H-indol-3-yl β-L-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-L-glucopyranosiduronique de 5-bromo-6-chloro-7H-indol-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranosiduronic acid, 5-bromo-6-chloro-7H-indol-3-yl [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 679.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.760
Molar Refractivity: 81.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 77.8±7.0 dyne/cm
Molar Volume: 198.4±7.0 cm3

Click to predict properties on the Chemicalize site


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