Basic information
- Standard SMILES
CCCCC[C@@H](O)C#CCN(CCCCCCC(=O)O)S(C)(=O)=O- InChIKey
BVZCICPBNIINFR-MRXNPFEDSA-N- Molecular formula
- C17H31NO5S
- Average molar mass
- 361.5 g/mol
Names & identifiers
- Preferred name
- 7-[N-(4(R)-hydroxy-2-nonynyl)methanesulfonamido]heptanoic acid
- IUPAC
- 7-[[(4R)-4-hydroxynon-2-ynyl]-methylsulfonylamino]heptanoic acid
Names & synonyms
SCHEMBL11605684BVZCICPBNIINFR-MRXNPFEDSA-N7-[N-(4(R)-hydroxy-2-nonynyl)methanesulfonamido]heptanoic acid
Database identifiers
- PubChem CID
- 22798404
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 512
Related reactions
24 records
Compound notes
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