4-O-Carbamoyl-2-Deoxy-2-{[(3S)-3,6-Diaminohexanoyl]Amino}-N-[(3As,7R,7As)-7-Hydroxy-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 C19H34N8O8
IUPAC Name [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate
Molecular Mass 502.522 g·mol−1
Heat of Formation -1363.7 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 577.83 Å 3
Surface Area 452.24 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((o-(aminocarbonyl)-2-deoxy-2-((3,6-diamino-1-oxohexyl)amino)-beta-d-gulopyranosyl)amino)-1,3,5,6,7,7a-hexahydro-7-hydroxy-4h-imidazo(4,5-c)pyridin-4-one
  • 4h-imidazo(4,5-c)pyridin-4-one, 2-((2-deoxy-2-(3,6-diaminohexanamido)-beta-d-gulopyranosyl)amino)-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, 6'-carbamate
  • [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
  • [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate
  • antibiotic s 15-1a
  • carbamic acid [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-keto-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-methylol-tetrahydropyran-3-yl] ester
  • carbamic acid [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3,6-diamino-1-oxohexyl]amino]-4-hydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] ester
  • racemomycin a
  • yazumycin a
CAS Number(s)
  • 3808-42-2
InChIKey NRAUADCLPJTGSF-VLSXYIQESA-N
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