Methyl 3-O-(2-Acetamido-2-Deoxy-6-Thio-β-D-Glucopyranosyl)-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C15H27NO10S
IUPAC Name n-[(2r,3r,4r,5s,6s)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(sulfanylmethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 413.441 g·mol−1
Heat of Formation -1841.6 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 469.43 Å 3
Surface Area 389.92 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-galactopyranoside, methyl 3-o-(2-(acetylamino)-2-deoxy-6-thio-beta-d-glucopyranosyl)-
  • me adtg-gal
  • me-sglcnac-gal
  • methyl 3-o-(2-acetamido-2-deoxy-6-thioglucopyranosyl)galactopyranoside
  • n-[(2r,3r,4r,5s,6s)-2-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-methoxy-6-methylol-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(mercaptomethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6s)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-oxan-4-yl]oxy-4,5-dihydroxy-6-(sulfanylmethyl)oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5s,6s)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(sulfanylmethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6s)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-4,5-dihydroxy-6-(sulfanylmethyl)oxan-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6s)-2-[[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-4-tetrahydropyranyl]oxy]-4,5-dihydroxy-6-(mercaptomethyl)-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 145633-28-9
InChIKey KJOLNSMZEBPAIX-MUHRKBNZSA-N
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