2-Acetamido-4-O-[(1S)-1-Carboxyethyl]-2-Deoxy-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C11H19NO8
IUPAC Name (2s)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxypropanoic acid
Molecular Mass 293.271 g·mol−1
Heat of Formation -1543.3 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 335.86 Å 3
Surface Area 282.8 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 3.47 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropanoic acid
  • (2s)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxypropanoic acid
  • (2s)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxypropionic acid
  • (2s)-2-[[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]propanoic acid
  • 2-acetamido-4-o-(1-carboxyethyl)-2-deoxyglucose
  • 4-o-nacmur
CAS Number(s)
  • 157027-59-3
InChIKey CPRBVTZNVRIVGJ-ZSDRWIAPSA-N
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