Basic information
- CAS
21478-01-3- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(S(C)(=O)=O)cc1- InChIKey
MYPUUWZQHGIRSY-UHFFFAOYSA-N- Molecular formula
- C28H45Cl2NO6S
- Average molar mass
- 594.6 g/mol
- Monoisotopic mass
- 593.2344647
Names & identifiers
- Preferred name
- Einecs 244-404-7
- IUPAC
- [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] hexadecanoate
Names & synonyms
21478-01-3EINECS 244-404-7DTXSID60944072MYPUUWZQHGIRSY-UHFFFAOYSA-NNS00049792(R-(R*,R*))-2-((Dichloroacetyl)amino)-3-hydroxy-3-(4-(methylsulphonyl)phenyl)propyl palmitate2,2-Dichloro-N-{3-(hexadecanoyloxy)-1-hydroxy-1-[4-(methanesulfonyl)phenyl]propan-2-yl}ethanimidic acidDichloro-N-{3-(hexadecanoyloxy)-1-hydroxy-1-[4-(methanesulfonyl)phenyl]propan-2-yl}ethanimidic acid
Database identifiers
- CAS
21478-01-3- PubChem CID
- 89502
- DTXSID
DTXSID60944072- EC Number
- 244-404-7
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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