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Search term: PZQVUALSHLQTOK-UYIOFKAJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 1-thio-beta-D-galactopyranoside | C20H26FN3O9S

3-Deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-β-D-galactopyranosyl 1-thio-β-D-galactopyranoside

  • Molecular FormulaC20H26FN3O9S
  • Average mass503.499 Da
  • Monoisotopic mass503.137390 Da
  • ChemSpider ID59051651

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2{s},3{r},4{s},5{r},6{r})-2-[(2{s},3{r},4{s},5{r},6{r})-4-[4-(3-Fluorophenyl)-1,2,3-Triazol-1-Yl]-6-(Hydroxymethyl)-3,5-Bis(Oxidanyl)oxan-2-Yl]sulfanyl-6-(Hydroxymethyl)oxane-3,4,5-Triol
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-Deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-β-D-galactopyranosyl 1-thio-β-D-galactopyranoside [ACD/IUPAC Name]
3-Desoxy-3-[4-(3-fluorphenyl)-1H-1,2,3-triazol-1-yl]-β-D-galactopyranosyl-1-thio-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-β-D-galactopyranosyl 1-thio- [ACD/Index Name]
TGZ

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

Density: 1.9±0.1 g/cm3
Boiling Point: 876.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.6±37.1 °C
Index of Refraction: 1.753
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.79
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.79
Polar Surface Area: 216 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 78.5±7.0 dyne/cm
Molar Volume: 271.7±7.0 cm3

Click to predict properties on the Chemicalize site


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