ChemSpider 2D Image | (2S)-2-{[(3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-4-amino-4-oxobutanoic acid (non-preferred name) | C12H21N3O8

(2S)-2-{[(3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-4-amino-4-oxobutanoic acid (non-preferred name)

  • Molecular FormulaC12H21N3O8
  • Average mass335.310 Da
  • Monoisotopic mass335.132874 Da
  • ChemSpider ID58809173

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-2-{[(3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-4-amino-4-oxobutanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-{[(3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-4-amino-4-oxobutansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-{[(3R,4R,5R,6R)-3-acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]amino}-4-amino-4-oxobutanoïque (non-preferred name) [French] [ACD/IUPAC Name]
D-Galactopyranosylamine, 2-(acetylamino)-N-[(1S)-3-amino-1-carboxy-3-oxopropyl]-2-deoxy- [ACD/Index Name]
100991-94-4 [RN]
N-[2-(Acetylamino)-2-deoxy-D-galactopyranosyl]-L-asparagine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 816.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.2±6.0 kJ/mol
Flash Point: 447.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.96
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site


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