3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid
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Basic information
- CAS
5873-11-0- Standard SMILES
Cc1ccc(S(=O)(=O)NC(CO)C(=O)O)cc1- InChIKey
SBKRCXFSPMKXAU-UHFFFAOYSA-N- Molecular formula
- C10H13NO5S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.05144369
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid
- IUPAC
- 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
- English name
- 3-HYDROXY-2-(TOLUENE-4-SULFONYLAMINO)-PROPIONIC ACID
- Molecular formula
- C10H13NO5S
- Molecular weight
- 259.28
Names & synonyms
5873-11-03-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acidDTXSID70300781RefChem:279779DTXCID20251916tosylserine3-Hydroxy-2-(4-methylphenylsulfonamido)propanoic acidNSC1389713-hydroxy-2-([(4-methylphenyl)sulfonyl]amino)propanoic acid3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}propanoic acidN-((4-methylphenyl)sulfonyl)serine3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
Show more names
TIMTEC-BB SBB012044Serine, N-[(4-methylphenyl)sulfonyl]-
NSC-138971Oprea1_229231CBDivE_003143SCHEMBL1734695CHEMBL2006744SBKRCXFSPMKXAU-UHFFFAOYSA-NHMS1686A04HAA66392
Database identifiers
- CAS
5873-11-0- PubChem CID
- 283773
- DTXSID
DTXSID70300781- ChEMBL
CHEMBL2006744
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 215 · 215-216 °C
- Boiling point
- 492.463 · 492.463±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.051 · 3.051±0.10(predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic Acid can be prepared for anti-microbial activity.
Related reactions
2 records
Compound notes
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