Methyl 2-Acetamido-3-O-[(2R)-1-Amino-1-Oxo-2-Propanyl]-2-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H22N2O7
IUPAC Name (2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxypropanamide
Molecular Mass 306.312 g·mol−1
Heat of Formation -1342.0 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 358.24 Å 3
Surface Area 306.68 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 3.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-5-hydroxy-2-methoxy-6-methylol-tetrahydropyran-4-yl]oxypropionamide
  • (2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-oxan-4-yl]oxypropanamide
  • (2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxypropanamide
  • (2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxypropanamide
  • (2r)-2-[[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-tetrahydropyranyl]oxy]propanamide
  • mmr
InChIKey RDTUJRBFQHDOEJ-PKKPQKKZSA-N
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