ChemSpider 2D Image | td139 | C28H30F2N6O8S

td139

  • Molecular FormulaC28H30F2N6O8S
  • Average mass648.635 Da
  • Monoisotopic mass648.181396 Da
  • ChemSpider ID52083921
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

1450824-22-2 [RN]
3-Deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-β-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-galactopyranoside [ACD/IUPAC Name]
3-Désoxy-3-[4-(3-fluorophényl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-galactopyranoside de 3-désoxy-3-[4-(3-fluorophényl)-1H-1,2,3-triazol-1-yl]-β-D-galactopyranosyle [French] [ACD/IUPAC Name]
3-Desoxy-3-[4-(3-fluorphenyl)-1H-1,2,3-triazol-1-yl]-β-D-galactopyranosyl-3-desoxy-3-[4-(3-fluorphenyl)-1H-1,2,3-triazol-1-yl]-1-thio-β-D-galactopyranosid [German] [ACD/IUPAC Name]
td139
TD-139
β-D-Galactopyranoside, 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-β-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio- [ACD/Index Name]
(2R,2'R,3R,3'R,4S,4'S,5R,5'R,6S,6'S)-6,6'-Thiobis(4-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diol)
4-(2-(4-(trifluoromethyl)piperidin-1-yl)acetyl)-1H-pyrrole-2-carbaldehyde
BS-15429
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

60Y0GUO72B [DBID]
UNII:60Y0GUO72B [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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