5-Deoxy-2-O-[2-Deoxy-2-(Methylamino)-A-L-Glucopyranosyl]-3-C-Formyl-L-Lyxose

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Properties Simple | Detailed

Formula C13H23NO9
IUPAC Name (2r,3r)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-2-[(1s)-1-hydroxyethyl]butanedial
Molecular Mass 337.323 g·mol−1
Heat of Formation -1585.2 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 382.89 Å 3
Surface Area 309.3 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-3-methylamino-6-methylol-tetrahydropyran-2-yl]oxy-2-hydroxy-2-(1-hydroxyethyl)succinaldehyde
  • (2r,3r)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl]oxy-2-hydroxy-2-(1-hydroxyethyl)butanedial
  • (2r,3r)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-tetrahydropyran-2-yl]oxy-2-hydroxy-2-(1-hydroxyethyl)butanedial
  • (2r,3r)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-2-hydroxy-2-(1-hydroxyethyl)butanedial
  • (2r,3r)-3-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-2-tetrahydropyranyl]oxy]-2-hydroxy-2-(1-hydroxyethyl)butanedial
InChIKey UNTJYOFZBHSHIU-HXYRURAXSA-N
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