ChemSpider 2D Image | [1-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl beta-D-glucopyranoside | C16H18N4O9S

[1-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl β-D-glucopyranoside

  • Molecular FormulaC16H18N4O9S
  • Average mass442.401 Da
  • Monoisotopic mass442.079437 Da
  • ChemSpider ID34237149

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[1-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl β-D-glucopyranoside [ACD/IUPAC Name]
[1-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1,2-Benzisothiazol-3(2H)-one, 6-[4-[(β-D-glucopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl]-, 1,1-dioxide [ACD/Index Name]
β-D-Glucopyranoside de [1-(3-oxo-1,1-dioxydo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.820
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.44
ACD/LogD (pH 5.5): -4.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 98.1±7.0 dyne/cm
Molar Volume: 220.5±7.0 cm3

Click to predict properties on the Chemicalize site


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