4-O-Carbamoyl-2-Deoxy-2-[Glycyl(Methyl)Amino]-N-[(3As,7R,7As)-7-Hydroxy-5-Methyl-4-Oxo-3A,4,5,6,7,7A-Hexahydro-1H-Imidazo[4,5-C]Pyridin-2-Yl]-β-D-Gulopyranosylamine

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Properties Simple | Detailed

Formula C17H29N7O8
IUPAC Name [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1h-imidazo[4,5-c]pyridin-2-yl]amino]-5-[(2-aminoacetyl)-methyl-amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate
Molecular Mass 459.454 g·mol−1
Heat of Formation -1306.3 ± 16.7 kJ·mol−1
Dipole Moment 10.35 ± 1.08 D
Volume 518.79 Å 3
Surface Area 412.17 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(4,5-c)pyridin-4-one, 2-((2-((aminoacetyl)methylamino)-4-o-(aminocarbonyl)-2-deoxy-beta-d-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-5-methyl-, (3as-(3aalpha,7alpha,7abeta))-
  • 4h-imidazo(4,5-c)pyridin-4-one, 2-((2-((aminoacetyl)methylamino)-6-o-(aminocarbonyl)-2-dexoy-beta-d-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-5-methyl-, (3as-(3a-alpha,7-alpha,7a-beta))-
  • [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1h-imidazo[4,5-c]pyridin-2-yl]amino]-5-(2-aminoethanoyl-methyl-amino)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
  • [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1h-imidazo[4,5-c]pyridin-2-yl]amino]-5-[(2-aminoacetyl)-methyl-amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate
  • [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1h-imidazo[4,5-c]pyridin-2-yl]amino]-5-[(2-aminoacetyl)-methylamino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
  • carbamic acid [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-keto-5-methyl-3a,6,7,7a-tetrahydro-1h-imidazo[4,5-c]pyridin-2-yl]amino]-5-(glycyl-methyl-amino)-4-hydroxy-2-methylol-tetrahydropyran-3-yl] ester
  • carbamic acid [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1h-imidazo[4,5-c]pyridin-2-yl]amino]-5-[(2-amino-1-oxoethyl)-methylamino]-4-hydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] ester
  • glycinothricin
CAS Number(s)
  • 63663-79-6
InChIKey IGGCBWFVVFZDLU-HZSGZFBJSA-N
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