(6R)-5-Acetamido-2,6-Anhydro-6-{(1R,2S)-3-[(4-Azido-2-Nitrophenyl)Sulfanyl]-1,2-Dihydroxypropyl}-3,5-Dideoxy-L-Threo-Hex-2-Enonic Acid

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Properties Simple | Detailed

Formula C17H19N5O9S
IUPAC Name (2r,3r,4s)-3-acetamido-2-[(1r,2s)-3-(4-azido-2-nitro-phenyl)sulfanyl-1,2-dihydroxy-propyl]-4-hydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 469.426 g·mol−1
Heat of Formation -841.6 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 503.14 Å 3
Surface Area 432.5 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-6-[(1r,2s)-3-(4-azido-2-nitro-phenyl)sulfanyl-1,2-dihydroxy-propyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-6-[(1r,2s)-3-(4-azido-2-nitrophenyl)sulfanyl-1,2-dihydroxypropyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-6-[(1r,2s)-3-[(4-azido-2-nitro-phenyl)thio]-1,2-dihydroxy-propyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-6-[(1r,2s)-3-[(4-azido-2-nitrophenyl)thio]-1,2-dihydroxypropyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 9-panp-2,3-d-nana
  • 9-s-(4-azido-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thioglycerogalactonon-2-enonic acid
CAS Number(s)
  • 112848-77-8
InChIKey RZQVEPSHNTZKSJ-IQVWLFHZSA-N
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