(6R)-2,6-Anhydro-4-Azido-3,4,5-Trideoxy-5-(Isobutyrylamino)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-L-Threo-Hex-2-Enonic Acid

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Formula C13H20N4O7
IUPAC Name (2r,3r,4s)-4-azido-3-(2-methylpropanoylamino)-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 344.321 g·mol−1
Heat of Formation -974.8 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 398.94 Å 3
Surface Area 332.44 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-4-azido-5-(2-methylpropanoylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-4-azido-5-(isobutyrylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-4-azido-5-[(2-methyl-1-oxopropyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
InChIKey GBVSNIYQERCVHL-CNYIRLTGSA-N
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