ChemSpider 2D Image | 1-S-[(1E)-7-(Methylsulfanyl)-N-(sulfooxy)heptanimidoyl]-1-thiohexopyranose | C14H27NO9S3

1-S-[(1E)-7-(Methylsulfanyl)-N-(sulfooxy)heptanimidoyl]-1-thiohexopyranose

  • Molecular FormulaC14H27NO9S3
  • Average mass449.560 Da
  • Monoisotopic mass449.084778 Da
  • ChemSpider ID35014568

  • Double-bond stereo - Double-bond stereo

More details:

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

1-S-[(1E)-7-(Methylsulfanyl)-N-(sulfooxy)heptanimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-7-(Methylsulfanyl)-N-(sulfooxy)heptanimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
1-S-[(1E)-7-(Méthylsulfanyl)-N-(sulfooxy)heptanimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-S-[(1E)-7-(methylthio)-1-[(sulfooxy)imino]heptyl]-1-thio- [ACD/Index Name]
[(E)-[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxysulfonic acid
1-Thio-b-glucopyranose 1-[7-(methylthio)-N-(sulfooxy)heptanimidate], 9CI
6-(Methylthio)hexyl glucosinolate
Glucolesquerellin

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: 1.626
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 64.5±7.0 dyne/cm
Molar Volume: 282.0±7.0 cm3

Click to predict properties on the Chemicalize site


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