ChemSpider 2D Image | 1-S-[(1E)-3-Phenyl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose | C15H21NO9S2

1-S-[(1E)-3-Phenyl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose

  • Molecular FormulaC15H21NO9S2
  • Average mass423.458 Da
  • Monoisotopic mass423.065765 Da
  • ChemSpider ID35014579

  • Double-bond stereo - Double-bond stereo

More details:

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

1-S-[(1E)-3-Phenyl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-3-Phenyl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
1-S-[(1E)-3-Phényl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-S-[(1E)-3-phenyl-1-[(sulfooxy)imino]propyl]-1-thio- [ACD/Index Name]
[(E)-(3-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid
1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)benzenepropanimidate], 9CI
2-phenylethylglucosinolate
Gluconasturiin
Gluconasturtiin [Wiki]
Phenethyl glucosinolate

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: 1.658
Molar Refractivity: 94.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 255.9±7.0 cm3

Click to predict properties on the Chemicalize site


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