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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3083336Generated: November 4, 2026

2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid

2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid · (2S,4S,5R,6R)-5-acetamido-2-[4-[(5-dimethylaminonaphthalen-1-yl)sulfon ylamino]phenyl]sulfanyl-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]ox ane-2-carboxylic acid · (2S,4S,5R,6R)-5-acetamido-2-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

https://huagongshe.com/en/chemical/3083336

2-(N-dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid molecular structure

Identifiers & Physical Properties

CAS No.141303-70-0
Molecular formulaC29H35N3O10S2
Average molar mass649.7 g/mol
Monoisotopic mass649.17638667 g/mol
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Sc2ccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)cc2)(C(=O)O)C[C@@H]1O
InChIKeyYRNBBVVAZPSEKQ-DWHFJZGISA-N
PubChem CID3083336
DTXSIDDTXSID00161680

Chemical & Physical Properties

XLogP1.3
Topological polar surface area240
Hydrogen bond donors7
Hydrogen bond acceptors13
Rotatable bonds11
Heavy atoms44
Formal charge0
Complexity1,100
Density1.553±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (acidity coefficient)1.865±0.70(predicted)