β-Muramic Acid

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Formula C9H17NO7
IUPAC Name (2r)-2-[(2r,3r,4r,5s,6r)-3-azaniumyl-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoate
Molecular Mass 251.234 g·mol−1
Heat of Formation -1324.3 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 278.75 Å 3
Surface Area 251.15 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-ammonio-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxypropionate
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-azaniumyl-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoate
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-azaniumyl-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoate
  • (2r)-2-[[(2r,3r,4r,5s,6r)-3-ammonio-2,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]propanoate
InChIKey MSFSPUZXLOGKHJ-KTZFPWNASA-N
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