ChemSpider 2D Image | N-{[(2Z)-2-(4-Hydroxybenzylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine | C14H19N3O6S

N-{[(2Z)-2-(4-Hydroxybenzylidene)hydrazino]carbonothioyl}-β-D-glucopyranosylamine

  • Molecular FormulaC14H19N3O6S
  • Average mass357.382 Da
  • Monoisotopic mass357.099457 Da
  • ChemSpider ID26325375

  • 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-({(2z)-2-[(4-Hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-β-D-Glucopyranosylamine
N-{[(2Z)-2-(4-Hydroxybenzyliden)hydrazino]carbonothioyl}-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-{[(2Z)-2-(4-Hydroxybenzylidene)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-{[(2Z)-2-(4-Hydroxybenzylidène)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[[(2Z)-2-[(4-hydroxyphenyl)methylene]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: 631.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.6±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 84.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.39
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.83
Polar Surface Area: 179 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 216.7±7.0 cm3

Click to predict properties on the Chemicalize site


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