ChemSpider 2D Image | 2-Acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxo-2-propanyl]-2-deoxy-D-glucopyranose | C14H23N2O9

2-Acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxo-2-propanyl]-2-deoxy-D-glucopyranose

  • Molecular FormulaC14H23N2O9
  • Average mass363.341 Da
  • Monoisotopic mass363.140900 Da
  • ChemSpider ID34448911

  • Charge - Charge

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2-Acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxo-2-propanyl]-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxo-2-propanyl]-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoéthyl]amino}-1-oxo-2-propanyl]-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2-(acetylamino)-3-O-[(1R)-2-[[(1S)-1-carboxyethyl]amino]-1-methyl-2-oxoethyl]-2-deoxy-, ion(1-) [ACD/Index Name]
2-acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxopropan-2-yl]-2-deoxy-D-glucopyranose
N-acetyl-D-muramoyl-L-alaninate
N-Acetyl-D-muramoyl-L-alanine
  • Miscellaneous

    • Chemical Class:

      The carbohydrate acid derivative anion formed by loss of a proton from the carboxy group of N-acetyl-D-muramoyl-L-alanine; principal microspecies a; t pH 7.3. ChEBI CHEBI:83941
      The carbohydrate acid derivative anion formed by loss of a proton from the carboxy group of N-acetyl-D-muramoyl-L-alanine; principal microspecies at pH 7.3. ChEBI CHEBI:83941

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

Density:
Boiling Point: 787.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 430.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -4.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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