ChemSpider 2D Image | (2R)-2-{[(2S,3R,4R)-4-Acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name) | C11H17NO7

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

  • Molecular FormulaC11H17NO7
  • Average mass275.255 Da
  • Monoisotopic mass275.100494 Da
  • ChemSpider ID58163678

  • 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}propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2R)-2-{[(2S,3R,4R)-4-Acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2R)-2-{[(2S,3R,4R)-4-acétamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid
(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name)
(2R)-2-{[(1R,2S,3R,4R,5R)-4-Acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid [ACD/IUPAC Name]
1,6-anhMurNAc
1,6-anhydro-N-acetylmuramic acid
1,6-anhydro-N-acetyl-muramic acid
1,6-anhydro-N-acetyl-β-muramic acid
More...
  • Miscellaneous

    • Chemical Class:

      An anhydrohexose derivative that is the 1,6-anhydro-derivative of <element>N</element>-acetyl-<stereo>beta</stereo>-muramic acid. ChEBI CHEBI:40666
      An anhydrohexose derivative that is the 1,6-anhydro-derivative of N-acetyl-beta-muramic acid. ChEBI CHEBI:40666

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

Density: 1.4±0.1 g/cm3
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: 1.547
Molar Refractivity: 60.9±0.4 cm3
#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: 114 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 192.1±5.0 cm3

Click to predict properties on the Chemicalize site


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