ChemSpider 2D Image | 1-S-[(1E)-2-(1-Hydroxy-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose | C16H19N2O10S2

1-S-[(1E)-2-(1-Hydroxy-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-β-D-glucopyranose

  • Molecular FormulaC16H19N2O10S2
  • Average mass463.460 Da
  • Monoisotopic mass463.048645 Da
  • ChemSpider ID128920555

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-S-[(1E)-2-(1-Hydroxy-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-2-(1-Hydroxy-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[(1E)-2-(1-Hydroxy-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-S-[(1E)-2-(1-hydroxy-1H-indol-3-yl)-1-[(sulfooxy)imino]ethyl]-1-thio-, ion(1-) [ACD/Index Name]
1-hydroxy-3-indolylmethyl-glucosinolate
1-hydroxyglucobrassicin

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability:
Surface Tension:
Molar Volume:

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