Methyl 2-Acetamido-2-Deoxy-3-O-β-D-Glucopyranuronosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C15H25NO12
IUPAC Name (2s,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 411.359 g·mol−1
Heat of Formation -2239.6 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 439.91 Å 3
Surface Area 360.39 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4r,5s,6r)-3-acetamido-5-hydroxy-2-methoxy-6-methylol-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-oxan-4-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • menacglcua-glu
  • methyl 2-acetamido-2-deoxy-3-o-(beta-d-glucopyranosyluronic acid)-beta-d-glucopyranoside
  • methyl 2-acetamido-2-deoxy-3-o-glucopyranosyluronoylglucopyranoside
  • methyl adgag
CAS Number(s)
  • 106759-09-5
InChIKey QBCYMOTVOLDSJF-TUAGYZNYSA-N
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