ChemSpider 2D Image | (5xi)-1-O-{[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-beta-L-xylo-hexopyranuronic acid | C25H24ClNO10

(5ξ)-1-O-{[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-β-L-xylo-hexopyranuronic acid

  • Molecular FormulaC25H24ClNO10
  • Average mass533.912 Da
  • Monoisotopic mass533.108887 Da
  • ChemSpider ID128925211

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ)-1-O-{[1-(4-Chlorbenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-β-L-xylo-hexopyranuronsäure [German] [ACD/IUPAC Name]
(5ξ)-1-O-{[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-β-L-xylo-hexopyranuronic acid [ACD/IUPAC Name]
Acide (5ξ)-1-O-{2-[1-(4-chlorobenzoyl)-5-méthoxy-2-méthyl-1H-indol-3-yl]acétyl}-β-L-xylo-hexopyranuronique [French] [ACD/IUPAC Name]
β-L-xylo-Hexopyranuronic acid, 1-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate], (5ξ)- [ACD/Index Name]
75523-11-4 [RN]
Indomethacin Acyl-β-D-glucuronide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 339.2±7.0 cm3

Click to predict properties on the Chemicalize site


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