3-O-(4-Acetamido-4-Deoxy-α-D-Glucopyranosyl)-1,4-Diamino-1,4-Dideoxy-D-Glucitol

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Properties Simple | Detailed

Formula C14H29N3O9
IUPAC Name n-[(2s,3s,4s,5r,6r)-6-[(1s,2r,3s)-2-amino-1-[(1s)-2-amino-1-hydroxy-ethyl]-3,4-dihydroxy-butoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 383.395 g·mol−1
Heat of Formation -1765.0 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 444.62 Å 3
Surface Area 361.97 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-o-(4-(acetylamino)-4-deoxy-alpha-d-glucopyranosyl)-1,4-diamino-1,4-dideoxy-d-glucitol
  • antibiotic bu 2183b
  • antibiotic g1a(sub 2)
  • antibiotic p 2563-ii
  • bu-2183b
  • d-glucitol, 3-o-(4-(acetylamino)-4-deoxy-alpha-d-glucopyranosyl)-1,4-diamino-1,4-dideoxy-
  • gia(sub 2)
  • n-[(2s,3s,4s,5r,6r)-6-[(1s,2r,3s)-2-amino-1-[(1s)-2-amino-1-hydroxy-ethyl]-3,4-dihydroxy-butoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3s,4s,5r,6r)-6-[(1s,2r,3s)-2-amino-1-[(1s)-2-amino-1-hydroxy-ethyl]-3,4-dihydroxy-butoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3s,4s,5r,6r)-6-[(1s,2r,3s)-2-amino-1-[(1s)-2-amino-1-hydroxyethyl]-3,4-dihydroxybutoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3s,4s,5r,6r)-6-[(2s,3s,4r,5s)-1,4-diamino-2,5,6-trihydroxy-hexan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3s,4s,5r,6r)-6-[(2s,3s,4r,5s)-1,4-diamino-2,5,6-trihydroxyhexan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]acetamide
  • p 2563-ii
  • sorbistin b
CAS Number(s)
  • 60502-99-0
  • 75635-19-7
InChIKey UWAJGPKPIKRBHZ-BOPCDOEQSA-N
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