ChemSpider 2D Image | N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA | C9H16N2O7

N-ACETYL-N'-β-D-GLUCOPYRANOSYL UREA

  • Molecular FormulaC9H16N2O7
  • Average mass264.233 Da
  • Monoisotopic mass264.095764 Da
  • ChemSpider ID26329940

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-(Acetylcarbamoyl)-β-L-glucopyranosylamin [German] [ACD/IUPAC Name]
N-(Acetylcarbamoyl)-β-L-glucopyranosylamine [ACD/IUPAC Name]
N-(Acétylcarbamoyl)-β-L-glucopyranosylamine [French] [ACD/IUPAC Name]
N-ACETYL-N'-β-D-GLUCOPYRANOSYL UREA
β-L-Glucopyranosylamine, N-[(acetylamino)carbonyl]- [ACD/Index Name]
3-acetyl-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 57.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.82
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.81
Polar Surface Area: 148 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 167.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement