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Search term: KHZWKRXKMLEULJ-XYUJZHSNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{[(2E)-2-(4-Pyridinylmethylene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine | C13H18N4O5S

N-{[(2E)-2-(4-Pyridinylmethylene)hydrazino]carbonothioyl}-β-D-glucopyranosylamine

  • Molecular FormulaC13H18N4O5S
  • Average mass342.371 Da
  • Monoisotopic mass342.099792 Da
  • ChemSpider ID25057145

  • 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

N-{[(2E)-2-(4-Pyridinylmethylen)hydrazino]carbonothioyl}-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-{[(2E)-2-(4-Pyridinylmethylene)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-{[(2E)-2-(4-Pyridinylméthylène)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
N-{[(2e)-2-(Pyridin-4-Ylmethylidene)hydrazino]carbonothioyl}-β-D-Glucopyranosylamine
β-D-Glucopyranosylamine, N-[[(2E)-2-(4-pyridinylmethylene)hydrazinyl]thioxomethyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 604.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.2±34.3 °C
Index of Refraction: 1.715
Molar Refractivity: 81.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.56
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.85
Polar Surface Area: 172 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 208.0±7.0 cm3

Click to predict properties on the Chemicalize site


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