ChemSpider 2D Image | 1-S-[(1E)-4-(Methylsulfinyl)-N-(sulfooxy)butanimidoyl]-1-thiohexopyranose | C11H21NO10S3

1-S-[(1E)-4-(Methylsulfinyl)-N-(sulfooxy)butanimidoyl]-1-thiohexopyranose

  • Molecular FormulaC11H21NO10S3
  • Average mass423.480 Da
  • Monoisotopic mass423.032745 Da
  • ChemSpider ID35014566

  • Double-bond stereo - Double-bond stereo

More details:

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

1-S-[(1E)-4-(Methylsulfinyl)-N-(sulfooxy)butanimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-4-(Methylsulfinyl)-N-(sulfooxy)butanimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
1-S-[(1E)-4-(Méthylsulfinyl)-N-(sulfooxy)butanimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-S-[(1E)-4-(methylsulfinyl)-1-[(sulfooxy)imino]butyl]-1-thio- [ACD/Index Name]
[(E)-(4-methanesulfinyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxysulfonic acid
3-(Methylsulfinyl)propyl glucosinolate
glucoiberin

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 88.0±7.0 dyne/cm
Molar Volume: 228.4±7.0 cm3

Click to predict properties on the Chemicalize site


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