ChemSpider 2D Image | (2R)-3-{[(3R,4R,5S)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminopropanoic acid | C11H20N2O8

(2R)-3-{[(3R,4R,5S)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminopropanoic acid

  • Molecular FormulaC11H20N2O8
  • Average mass308.285 Da
  • Monoisotopic mass308.121979 Da
  • ChemSpider ID29786659

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(2R)-3-{[(3R,4R,5S)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminopropanoic acid [ACD/IUPAC Name]
(2R)-3-{[(3R,4R,5S)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminopropansäure [German] [ACD/IUPAC Name]
Acide (2R)-3-{[(3R,4R,5S)-3-acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2-aminopropanoïque [French] [ACD/IUPAC Name]
D-xylo-Hexopyranoside, (2R)-2-amino-2-carboxyethyl 2-(acetylamino)-2-deoxy-, (5ξ)- [ACD/Index Name]
17041-36-0 [RN]
2-Acetamido-2-deoxy-D-glucopyranosyl serine
GlcNAc-b-O-L-Serine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 701.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.3±6.0 kJ/mol
Flash Point: 377.9±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 203.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement