ChemSpider 2D Image | 1-S-[9-(Methylsulfinyl)-N-(sulfooxy)nonanimidoyl]-1-thio-beta-D-glucopyranose | C16H31NO10S3

1-S-[9-(Methylsulfinyl)-N-(sulfooxy)nonanimidoyl]-1-thio-β-D-glucopyranose

  • Molecular FormulaC16H31NO10S3
  • Average mass493.613 Da
  • Monoisotopic mass493.110992 Da
  • ChemSpider ID30791695

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-S-[9-(Methylsulfinyl)-N-(sulfooxy)nonanimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[9-(Methylsulfinyl)-N-(sulfooxy)nonanimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[9-(Méthylsulfinyl)-N-(sulfooxy)nonanimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-S-[9-(methylsulfinyl)-1-[(sulfooxy)imino]nonyl]-1-thio- [ACD/Index Name]
8-methylsulfinyloctyl glucosinolate
Glucohirsutin

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -3.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 308.6±7.0 cm3

Click to predict properties on the Chemicalize site


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