2-Acetamido-2-Deoxyhexopyranosyl-(1->3)-[6-Deoxyhexopyranosyl-(1->2)]Hexopyranosyl-(1->4)Hexose

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Properties Simple | Detailed

Formula C26H45NO20
IUPAC Name n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4s,5s,6r)-2-[(1r,2r,3r)-1-[(1r)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 691.630 g·mol−1
Heat of Formation -3814.6 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 751.5 Å 3
Surface Area 510.92 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4s,5s,6r)-2-[(1r,2r,3r)-1-[(1r)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-keto-butoxy]-5-hydroxy-6-methylol-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4s,5s,6r)-2-[(1r,2r,3r)-1-[(1r)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-2-[[(2s,3r,4s,5s,6r)-2-[(1r,2r,3r)-1-[(1r)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxobutoxy]-5-hydroxy-6-(hydroxymethyl)-3-[[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-tetrahydropyranyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-[(2r,3s,4s,5r,6s)-3-hydroxy-2-(hydroxymethyl)-6-[(2r,3r,4r,5r)-1,2,4,5-tetrahydroxy-6-oxo-hexan-3-yl]oxy-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-[(2r,3s,4s,5r,6s)-3-hydroxy-2-(hydroxymethyl)-6-[(2r,3r,4r,5r)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChIKey DLJLMAWPOOWMRF-BFJQYDNNSA-N
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