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Search term: HSFYJQPAPJJFBZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-S-{(E)-[3-Phenyl-1-(sulfooxy)propylidene]amino}-1-thio-beta-D-glucopyranose | C15H21NO9S2

1-S-{(E)-[3-Phenyl-1-(sulfooxy)propylidene]amino}-1-thio-β-D-glucopyranose

  • Molecular FormulaC15H21NO9S2
  • Average mass423.458 Da
  • Monoisotopic mass423.065765 Da
  • ChemSpider ID52563417
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-S-{(E)-[3-Phenyl-1-(sulfooxy)propyliden]amino}-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-{(E)-[3-Phenyl-1-(sulfooxy)propylidene]amino}-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-{(E)-[3-Phényl-1-(sulfooxy)propylidène]amino}-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-S-[[(1E)-3-phenyl-1-(sulfooxy)propylidene]amino]-1-thio- [ACD/Index Name]
499-30-9 [RN]
atoms 32 bonds 33
Gluconasturtiin [Wiki]

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): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
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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