ChemSpider 2D Image | 2-Acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-1-O-phosphonato-alpha-D-glucopyranosato | C11H17NO11P

2-Acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-1-O-phosphonato-α-D-glucopyranosato

  • Molecular FormulaC11H17NO11P
  • Average mass370.228 Da
  • Monoisotopic mass370.055573 Da
  • ChemSpider ID76963007

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-Acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-1-O-phosphonato-α-D-glucopyranosato [ACD/IUPAC Name]
2-Acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-desoxy-1-O-phosphonato-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-3-O-[(1R)-1-carboxylatoéthyl]-2-désoxy-1-O-phosphonato-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranosato(3-), 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-, 1-(dihydrogen phosphate), ion(3-) [ACD/Index Name]
2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-1-O-phosphonato-α-D-glucopyranose
N-acetyl-α-D-muramate 1-phosphate
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is the trianion arising from deprotonation of the phosphate and carboxylic acid functions of N-acetyl-alpha-D-mura; mate 1-phosphate. Major microspecies at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137594
      An organophosphate oxoanion that is the trianion arising from deprotonation of the phosphate and carboxylic acid functions of N-acetyl-alpha-D-muramate 1-phosphate. Major microspecies at pH 7.3. ChEBI CHEBI:137594

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -7.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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