ChemSpider 2D Image | 5-Bromo-3-pyridinyl 3-deoxy-1-thio-3-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-alpha-D-galactopyranoside | C19H16BrF3N4O4S

5-Bromo-3-pyridinyl 3-deoxy-1-thio-3-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-α-D-galactopyranoside

  • Molecular FormulaC19H16BrF3N4O4S
  • Average mass533.319 Da
  • Monoisotopic mass532.002747 Da
  • ChemSpider ID115010772

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Désoxy-1-thio-3-[4-(3,4,5-trifluorophényl)-1H-1,2,3-triazol-1-yl]-α-D-galactopyranoside de 5-bromo-3-pyridinyle [French] [ACD/IUPAC Name]
5-Brom-3-pyridinyl-3-desoxy-1-thio-3-[4-(3,4,5-trifluorphenyl)-1H-1,2,3-triazol-1-yl]-α-D-galactopyranosid [German] [ACD/IUPAC Name]
5-Bromo-3-pyridinyl 3-deoxy-1-thio-3-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-α-D-galactopyranoside [ACD/IUPAC Name]
α-D-Galactopyranoside, 5-bromo-3-pyridinyl 3-deoxy-1-thio-3-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]
1978336-95-6 [RN]
Selvigaltin

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

Density: 1.9±0.1 g/cm3
Boiling Point: 743.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.6±35.7 °C
Index of Refraction: 1.721
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.85
ACD/KOC (pH 5.5): 178.90
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.85
ACD/KOC (pH 7.4): 178.91
Polar Surface Area: 139 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 283.1±7.0 cm3

Click to predict properties on the Chemicalize site


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