Benzyl 2-Acetamido-6-O-(2-Acetamido-2,4-Dideoxy-4-Fluoro-β-D-Glucopyranosyl)-2-Deoxy-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C23H33FN2O10
IUPAC Name n-[(2r,3r,4r,5r,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-fluoro-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-benzyloxy-4,5-dihydroxy-tetrahydropyran-3-yl]acetamide
Molecular Mass 516.514 g·mol−1
Heat of Formation -1950.2 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 596.54 Å 3
Surface Area 480.81 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-d-galactopyranoside, phenylmethyl 2-(acetylamino)-6-o-(2-(acetylamino)-2,4-dideoxy-4-fluoro-d-glucopyranosyl)-2-deoxy-
  • baadfgg
  • benzyl 2-acetamido-6-o-(2-acetamido-2,4-dideoxy-4-fluoroglucopyranosyl)-2-deoxygalactopyranoside
  • n-[(2r,3r,4r,5r,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-fluoro-4-hydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-4,5-dihydroxy-2-(phenylmethoxy)-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5r,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-(phenylmethoxy)oxan-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-(phenylmethoxy)oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5r,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-fluoro-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-2-(phenylmethoxy)tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-fluoro-4-hydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-2-(benzyloxy)-4,5-dihydroxy-tetrahydropyran-3-yl]acetamide
CAS Number(s)
  • 115973-78-9
InChIKey POYIBRAGZANVDT-FBDIQVNCSA-N
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