4-({[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Amino)Phenyl (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 C29H35N3O10S2
IUPAC Name (2s,4s,5r,6r)-5-acetamido-2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]phenyl]sulfanyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 649.732 g·mol−1
Heat of Formation -1631.7 ± 16.7 kJ·mol−1
Dipole Moment 9.43 ± 1.08 D
Volume 724.53 Å 3
Surface Area 491.54 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-2-[4-[(5-dimethylamino-1-naphthyl)sulfonylamino]phenyl]sulfanyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-[4-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]phenyl]sulfanyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-[[4-[(5-dimethylamino-1-naphthyl)sulfonylamino]phenyl]thio]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-[[4-[(5-dimethylamino-1-naphthyl)sulfonylamino]phenyl]thio]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • 2-(n-dansyl-4-aminophenylthio)-n-acetyl-9-o-acetylneuraminic acid
  • d-glycero-alpha-d-galacto-2-nonulopyranosidonic acid, 4-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)phenyl 5-(acetylamino)-3,5-dideoxy-2-thio-
  • dansyl-apta-ner
CAS Number(s)
  • 141303-70-0
InChIKey YRNBBVVAZPSEKQ-DWHFJZGISA-N
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