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Search term: YMMGKBVLXHTWGR-CTWRKMMKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Methylphenyl 3-deoxy-3-[4-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside | C22H24FN3O4S

4-Methylphenyl 3-deoxy-3-[4-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-galactopyranoside

  • Molecular FormulaC22H24FN3O4S
  • Average mass445.507 Da
  • Monoisotopic mass445.147156 Da
  • ChemSpider ID76788846

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Désoxy-3-[4-(4-fluoro-3-méthylphényl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-galactopyranoside de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl 3-deoxy-3-[4-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-galactopyranoside [ACD/IUPAC Name]
4-Methylphenyl-3-desoxy-3-[4-(4-fluor-3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, 4-methylphenyl 3-deoxy-3-[4-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-thio- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 702.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.7±35.7 °C
Index of Refraction: 1.674
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.73
ACD/KOC (pH 5.5): 570.20
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.73
ACD/KOC (pH 7.4): 570.20
Polar Surface Area: 126 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 306.6±7.0 cm3

Click to predict properties on the Chemicalize site


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