ChemSpider 2D Image | N-{[4-Amino(~2~H_4_)phenyl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)-beta-D-glucopyranuronosylamine | C16H15D4N3O9S

N-{[4-Amino(2H4)phenyl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)-β-D-glucopyranuronosylamine

  • Molecular FormulaC16H15D4N3O9S
  • Average mass433.426 Da
  • Monoisotopic mass433.109314 Da
  • ChemSpider ID115009794

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

N-{[4-Amino(2H4)phenyl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)-β-D-glucopyranuronosylamin [German] [ACD/IUPAC Name]
N-{[4-Amino(2H4)phenyl]sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)-β-D-glucopyranuronosylamine [ACD/IUPAC Name]
N-{[4-Amino(2H4)phényl]sulfonyl}-N-(5-méthyl-1,2-oxazol-3-yl)-β-D-glucopyranuronosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranuronosylamine, N-[(4-aminophenyl-2,3,5,6-d4)sulfonyl]-N-(5-methyl-3-isoxazolyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 798.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.5±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 104.8±3.0 dyne/cm
Molar Volume: 248.4±3.0 cm3

Click to predict properties on the Chemicalize site


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