(6R)-5-Acetamido-2,6-Anhydro-6-[(1R,2S)-3-{[4-Azido-2-Nitro(3,5-~3~H_2_)Phenyl]Sulfanyl}-1,2-Dihydroxypropyl]-3,5-Dideoxy-L-Threo-Hex-2-Enonic Acid

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Properties Simple | Detailed

Formula C17H17N5O9ST2
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 473.442 g·mol−1
Heat of Formation -832.0 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 506.1 Å 3
Surface Area 432.27 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-6-[(1r,2s)-3-(4-azido-2-nitro-3,5-ditritio-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-nitro-3,5-ditritiophenyl)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-3,5-ditritio-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-nitro-3,5-ditritiophenyl)thio]-1,2-dihydroxypropyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 5-(acetylamino)-2,6-anhydro-9-s-(4-azido-2-nitrophenyl-3,5-t2)-3,5-dideoxy-9-thio-d-gylcero-d-galacto-non-2-enoic acid
  • 9-(4-azido-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thioglycerogalactonon-2-enoic acid
  • 9-panp-neu5ac2en
  • 9-s-(4-azido-3,5-3h-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thio-d-glycero-d-galacto-non-2-enoic acid
  • d-gylcero-d-galacto-non-2-enoic acid, 5-(acetylamino)-2,6-anhydro-9-s-(4-azido-2-nitrophenyl-3,5-t2)-3,5-dideoxy-9-thio-
CAS Number(s)
  • 132406-95-2
InChIKey RZQVEPSHNTZKSJ-PVQURJCJSA-N
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