ChemSpider 2D Image | 1-S-[(1E)-4-Methyl-N-(sulfooxy)hexanimidoyl]-1-thiohexopyranose | C13H25NO9S2

1-S-[(1E)-4-Methyl-N-(sulfooxy)hexanimidoyl]-1-thiohexopyranose

  • Molecular FormulaC13H25NO9S2
  • Average mass403.469 Da
  • Monoisotopic mass403.097076 Da
  • ChemSpider ID35014122

  • Double-bond stereo - Double-bond stereo

More details:

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

1-S-[(1E)-4-Methyl-N-(sulfooxy)hexanimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-4-Methyl-N-(sulfooxy)hexanimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
1-S-[(1E)-4-Méthyl-N-(sulfooxy)hexanimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-S-[(1E)-4-methyl-1-[(sulfooxy)imino]hexyl]-1-thio- [ACD/Index Name]
[(E)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxysulfonic acid
1-Thio-b-D-glucopyranose 1-[4-methyl-N-(sulfooxy)hexanimidate]
3-Methylpentyl glucosinolate

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: 1.613
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 250.5±7.0 cm3

Click to predict properties on the Chemicalize site


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