ChemSpider 2D Image | N-{[(2E)-2-(4-Nitrobenzylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine | C14H18N4O7S

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

  • Molecular FormulaC14H18N4O7S
  • Average mass386.380 Da
  • Monoisotopic mass386.089630 Da
  • ChemSpider ID25057780
  • 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-nitrophenyl)methylidene]hydrazino}carbonothioyl)-β-D-glucopyranosylamine
N-{[(2E)-2-(4-Nitrobenzyliden)hydrazino]carbonothioyl}-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-{[(2E)-2-(4-Nitrobenzylidene)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-{[(2E)-2-(4-Nitrobenzylidène)hydrazino]carbonothioyl}-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[[(2E)-2-[(4-nitrophenyl)methylene]hydrazinyl]thioxomethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 646.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.0±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 88.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 46.19
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 46.13
Polar Surface Area: 204 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 74.7±7.0 dyne/cm
Molar Volume: 224.7±7.0 cm3

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