ChemSpider 2D Image | 3-Deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-talopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-glucopyranoside | C28H30F2N6O8S

3-Deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-β-D-talopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-glucopyranoside

  • Molecular FormulaC28H30F2N6O8S
  • Average mass648.635 Da
  • Monoisotopic mass648.181396 Da
  • ChemSpider ID128926740

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-Deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-β-D-talopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
3-Désoxy-3-[4-(3-fluorophényl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-glucopyranoside de 3-désoxy-3-[4-(3-fluorophényl)-1H-1,2,3-triazol-1-yl]-β-D-talopyranosyle [French] [ACD/IUPAC Name]
3-Desoxy-3-[4-(3-fluorphenyl)-1H-1,2,3-triazol-1-yl]-β-D-talopyranosyl-3-desoxy-3-[4-(3-fluorphenyl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-β-D-talopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio- [ACD/Index Name]
1450824-22-2 [RN]
TD 139

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1017.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.6±3.0 kJ/mol
Flash Point: 569.0±37.1 °C
Index of Refraction: 1.761
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 63.19
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 63.18
Polar Surface Area: 227 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 72.7±7.0 dyne/cm
Molar Volume: 368.5±7.0 cm3

Click to predict properties on the Chemicalize site


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