ChemSpider 2D Image | N-[(2R,3R,4R,5S,6R)-2-Amino-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]-2-hydroxyacetamide (non-preferred name) | C8H16N2O7

N-[(2R,3R,4R,5S,6R)-2-Amino-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]-2-hydroxyacetamide (non-preferred name)

  • Molecular FormulaC8H16N2O7
  • Average mass252.222 Da
  • Monoisotopic mass252.095749 Da
  • ChemSpider ID61711943

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(2R,3R,4R,5S,6R)-2-Amino-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]-2-hydroxyacetamid (non-preferred name) [German] [ACD/IUPAC Name]
N-[(2R,3R,4R,5S,6R)-2-Amino-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]-2-hydroxyacetamide (non-preferred name) [ACD/IUPAC Name]
N-[(2R,3R,4R,5S,6R)-2-Amino-2,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]-2-hydroxyacétamide (non-preferred name) [French] [ACD/IUPAC Name]
N-ACETYL-D-GLUCOSAMINE
NAG

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

Density: 1.7±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 53.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -3.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 108.8±5.0 dyne/cm
Molar Volume: 147.8±5.0 cm3

Click to predict properties on the Chemicalize site


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