ChemSpider 2D Image | (2R)-2-{[(2S,3R,4R)-4-Acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoate (non-preferred name) | C11H16NO7

(2R)-2-{[(2S,3R,4R)-4-Acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoate (non-preferred name)

  • Molecular FormulaC11H16NO7
  • Average mass274.248 Da
  • Monoisotopic mass274.093231 Da
  • ChemSpider ID58163740

  • Charge - Charge

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2R)-2-{[(2S,3R,4R)-4-Acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoat (non-preferred name) [German] [ACD/IUPAC Name]
(2R)-2-{[(2S,3R,4R)-4-Acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoate (non-preferred name) [ACD/IUPAC Name]
(2R)-2-{[(2S,3R,4R)-4-Acétamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoate (non-preferred name) [French] [ACD/IUPAC Name]
(2R)-2-{[(1R,2S,3R,4R,5R)-4-Acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoate [ACD/IUPAC Name]
1,6-anhydro-N-acetyl-β-muramate
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion obtained by removal of a proton from the carboxy group of 1,6-anhydro-N-acetyl-beta-muramic acid. ChEBI CHEBI:58690

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

Density:
Boiling Point: 624.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 331.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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