ChemSpider 2D Image | 2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-beta-D-erythro-hexopyranosylamine | C15H19NO9S

2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-β-D-erythro-hexopyranosylamine

  • Molecular FormulaC15H19NO9S
  • Average mass389.378 Da
  • Monoisotopic mass389.078064 Da
  • ChemSpider ID71117022

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2,3,4,6-Tetra-O-acetyl-N-(thioxomethylen)-β-D-erythro-hexopyranosylamin [German] [ACD/IUPAC Name]
2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-β-D-erythro-hexopyranosylamine [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-N-(thioxométhylène)-β-D-érythro-hexopyranosylamine [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranosylamine, N-carbonothioyl-, 2,3,4,6-tetraacetate [ACD/Index Name]
14152-97-7 [RN]
2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl isothiocyanate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 469.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.8±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.87
ACD/KOC (pH 5.5): 495.49
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.87
ACD/KOC (pH 7.4): 495.49
Polar Surface Area: 159 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 277.0±7.0 cm3

Click to predict properties on the Chemicalize site


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