Basic information
- CAS
59997-74-9- Standard SMILES
CCCCCCCCCCCCCCC(C(=O)OCCN)S(=O)(=O)O- InChIKey
STLXFPCGXYWBTO-UHFFFAOYSA-N- Molecular formula
- C18H37NO5S
- Average molar mass
- 379.6 g/mol
- Monoisotopic mass
- 379.23924445
Names & identifiers
- Preferred name
- 1-(2-Aminoethyl) 2-sulfohexadecanoate
- IUPAC
- 1-(2-aminoethoxy)-1-oxohexadecane-2-sulfonic acid
Names & synonyms
1-(2-AMINOETHYL) 2-SULFOHEXADECANOATE59997-74-91-(2-aminoethoxy)-1-oxohexadecane-2-sulfonic acidDTXSID30975414
Database identifiers
- CAS
59997-74-9- PubChem CID
- 43159
- DTXSID
DTXSID30975414- Nikkaji
- J1.622.498G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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