ChemSpider 2D Image | Methyl (5S)-5-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-beta-L-xylopyranoside | C24H25FO5S

Methyl (5S)-5-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-β-L-xylopyranoside

  • Molecular FormulaC24H25FO5S
  • Average mass444.516 Da
  • Monoisotopic mass444.140686 Da
  • ChemSpider ID41756518

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S)-5-(3-{[5-(4-Fluorophényl)-2-thiényl]méthyl}-4-méthylphényl)-β-L-xylopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (5S)-5-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-β-L-xylopyranoside [ACD/IUPAC Name]
Methyl-(5S)-5-(3-{[5-(4-fluorphenyl)-2-thienyl]methyl}-4-methylphenyl)-β-L-xylopyranosid [German] [ACD/IUPAC Name]
β-L-Xylopyranoside, methyl 5-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (5S)- [ACD/Index Name]
842133-18-0 [RN]
Canagliflozin [INN] [USAN] [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.4±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 823.06
ACD/KOC (pH 5.5): 4250.76
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 823.05
ACD/KOC (pH 7.4): 4250.73
Polar Surface Area: 107 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 321.9±5.0 cm3

Click to predict properties on the Chemicalize site


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