ChemSpider 2D Image | 1-S-[(1E)-5-(Methylsulfanyl)-N-(sulfooxy)pentanimidoyl]-1-thiohexopyranose | C12H23NO9S3

1-S-[(1E)-5-(Methylsulfanyl)-N-(sulfooxy)pentanimidoyl]-1-thiohexopyranose

  • Molecular FormulaC12H23NO9S3
  • Average mass421.507 Da
  • Monoisotopic mass421.053497 Da
  • ChemSpider ID35014564

  • Double-bond stereo - Double-bond stereo

More details:

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

1-S-[(1E)-5-(Methylsulfanyl)-N-(sulfooxy)pentanimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-5-(Methylsulfanyl)-N-(sulfooxy)pentanimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
1-S-[(1E)-5-(Méthylsulfanyl)-N-(sulfooxy)pentanimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-S-[(1E)-5-(methylthio)-1-[(sulfooxy)imino]pentyl]-1-thio- [ACD/Index Name]
[(E)-[5-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene]amino]oxysulfonic acid
1-Thio-b-D-glucopyranose 1-[5-(methylthio)-N-(sulfooxy)pentanimidate], 9CI
4-methylthiobutyl glucosinolate
glucoerucin

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 90.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 249.8±7.0 cm3

Click to predict properties on the Chemicalize site


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