2-Acetamido-3-O-(2-Acetamido-2-Deoxy-α-D-Galactopyranosyl)-2-Deoxy-Beta-D-Galactopyranose

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Properties Simple | Detailed

Formula C16H28N2O11
IUPAC Name n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 424.400 g·mol−1
Heat of Formation -2145.8 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 475.66 Å 3
Surface Area 370.13 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • fsm
  • n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-2-[[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
InChIKey FJGXDMQHNYEUHI-LRFIHEIOSA-N
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