Basic information
- CAS
59997-80-7- Standard SMILES
CCCCCCCCCCCCCCC(C(=O)OCCOCCN)S(=O)(=O)O- InChIKey
NVEUKGURQJVTJA-UHFFFAOYSA-N- Molecular formula
- C20H41NO6S
- Average molar mass
- 423.6 g/mol
- Monoisotopic mass
- 423.2654592
Names & identifiers
- Preferred name
- 1-(2-(2-Aminoethoxy)ethyl) 2-sulfohexadecanoate
- IUPAC
- 1-[2-(2-aminoethoxy)ethoxy]-1-oxohexadecane-2-sulfonic acid
Names & synonyms
1-(2-(2-AMINOETHOXY)ETHYL) 2-SULFOHEXADECANOATE59997-80-71-[2-(2-aminoethoxy)ethoxy]-1-oxohexadecane-2-sulfonic acidDTXSID50975416
Database identifiers
- CAS
59997-80-7- PubChem CID
- 43161
- DTXSID
DTXSID50975416- Nikkaji
- J1.622.500B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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