ChemSpider 2D Image | 1-S-[(1E,4Z)-5-(Methylsulfinyl)-N-(sulfonatooxy)-4-pentenimidoyl]-1-thio-beta-D-glucopyranose | C12H20NO10S3

1-S-[(1E,4Z)-5-(Methylsulfinyl)-N-(sulfonatooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose

  • Molecular FormulaC12H20NO10S3
  • Average mass434.483 Da
  • Monoisotopic mass434.025482 Da
  • ChemSpider ID21864749
  • Charge - Charge

    defined stereocentres - 5 of 6 defined stereocentres


More details:






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

1-S-[(1E,4Z)-5-(Methylsulfinyl)-N-(sulfonatooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[(1E,4Z)-5-(Methylsulfinyl)-N-(sulfonatooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[(1E,4Z)-5-(Méthylsulfinyl)-N-(sulfonatooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-S-[(1E,4Z)-5-(methylsulfinyl)-1-[(sulfooxy)imino]-4-penten-1-yl]-1-thio-, ion(1-) [ACD/Index Name]
1-S-[5-(methylsulfinyl)-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
28463-24-3 [RN]
4-Methylsufinyl-3-butenyl glucosinolate
4-methylsulfinyl-3-butenylglucosinolate
4-methylsulfinylbut-3-enylglucosinolate
glucoraphenin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -4.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability:
Surface Tension:
Molar Volume:

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