2-(Trimethylsilyl)Ethyl 2-Acetamido-2,4-Dideoxy-β-D-Xylo-Hexopyranosyl-(1->3)-Alpha-D-Galactopyranosyl-(1->4)-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C25H47NO15Si
IUPAC Name n-[(2s,3r,4s,6s)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 629.724 g·mol−1
Heat of Formation -3010.8 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 748.41 Å 3
Surface Area 562.16 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(trimethylsilyl)ethyl 4-o-(3-o-(2,4-dideoxy-2-acetamido-beta-d-xylo-hexopyranosyl)-alpha-d-galactopyranosyl)-beta-d-galactopyranoside
  • 2-(trimethylsilyl)ethyl 4-o-(3-o-(2-acetamido-2,4-dideoxy-xylohexopyranosyl)galactopyranosyl)galactopyranoside
  • n-[(2s,3r,4s,6s)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4s,6s)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4s,6s)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-methylol-6-(2-trimethylsilylethoxy)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4s,6s)-2-[[(2r,3r,4s,5s,6r)-2-[[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)-3-tetrahydropyranyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-4-hydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • tmse-daxgg
CAS Number(s)
  • 157553-88-3
InChIKey LHURVCCUERLMNJ-MVVXCQEASA-N
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