4-Azido-2-Nitrophenyl (6R)-5-Acetamido-3,5-Dideoxy-2-Thio-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C16H31N5O10S
IUPAC Name (2s,4s,5r,6r)-5-acetamido-2-(4-azido-2-nitrophenyl)sulfanyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular Mass 485.510 g·mol−1
Heat of Formation -1104.1 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 522.65 Å 3
Surface Area 411.16 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-2-(4-azido-2-nitro-phenyl)sulfanyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-(4-azido-2-nitro-phenyl)sulfanyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-[(4-azido-2-nitro-phenyl)thio]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-[(4-azido-2-nitrophenyl)thio]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (4-azido-2-nitrophenyl)-5-acetamido-2,3,5-trideoxy-2-thioglycerogalacto-2-nonulopyranosidonic acid
  • anattggna
CAS Number(s)
  • 117681-72-8
InChIKey BBOSXYSYGWZQEU-BPOSEPGKSA-N
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