ChemSpider 2D Image | 1-S-[(1E)-5-[Methyl(oxido)sulfonio]-N-(sulfooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose | C12H23NO10S3

1-S-[(1E)-5-[Methyl(oxido)sulfonio]-N-(sulfooxy)pentanimidoyl]-1-thio-β-D-glucopyranose

  • Molecular FormulaC12H23NO10S3
  • Average mass437.507 Da
  • Monoisotopic mass437.048401 Da
  • ChemSpider ID34993199
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

1432982-77-8 [RN]
1-S-[(1E)-5-[Methyl(oxido)sulfonio]-N-(sulfooxy)pentanimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-5-[Methyl(oxido)sulfonio]-N-(sulfooxy)pentanimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[(1E)-5-[Méthyl(oxydo)sulfonio]-N-(sulfooxy)pentanimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-S-[(1E)-5-(hydroxymethylsulfonio)-1-[(sulfooxy)imino]pentyl]-1-thio-, inner salt [ACD/Index Name]
glucoraphanin [Wiki]

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

Q86A197713 [DBID]
UNII:Q86A197713 [DBID]
UNII-Q86A197713 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 223 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 83.1±7.0 dyne/cm
Molar Volume: 244.4±7.0 cm3

Click to predict properties on the Chemicalize site






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