ChemSpider 2D Image | 1-S-[(1E)-5-(Methylsulfinyl)-N-(sulfonatooxy)pentanimidoyl]-1-thiohexopyranose | C12H22NO10S3

1-S-[(1E)-5-(Methylsulfinyl)-N-(sulfonatooxy)pentanimidoyl]-1-thiohexopyranose

  • Molecular FormulaC12H22NO10S3
  • Average mass436.499 Da
  • Monoisotopic mass436.041138 Da
  • ChemSpider ID24785496

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1-S-[(1E)-5-(Methylsulfinyl)-N-(sulfonatooxy)pentanimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
1-S-[(1E)-5-(Methylsulfinyl)-N-(sulfonatooxy)pentanimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-5-(Méthylsulfinyl)-N-(sulfonatooxy)pentanimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-S-[(1E)-5-(methylsulfinyl)-1-[(sulfooxy)imino]pentyl]-1-thio-, ion(1-) [ACD/Index Name]
4-methylsulfinylbutyl glucosinolate
glucoraphanin*&β;-D-glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)*glucopyranose, 1-thio-, 1-[5-(methylsulfinyl)valerohydroximate] NO-(hydrogen sulfate), &β;-D-

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: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -4.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
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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