Basic information
- CAS
56022-47-0- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O- InChIKey
QKXPXFJKDHSDKF-UHFFFAOYSA-N- Molecular formula
- C18H36O5S
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.22834542
Names & identifiers
- Preferred name
- Palmitoyl isethionate
- IUPAC
- 2-hexadecanoyloxyethanesulfonic acid
Names & synonyms
Palmitoyl isethionate2-Sulfoethyl hexadecanoateZ6X7564WJ3Hexadecanoic acid, 2-sulfoethyl esterUNII-Z6X7564WJ356022-47-0SCHEMBL9792664PALMITOYL ISETHIONIC ACID
Database identifiers
- CAS
56022-47-0- PubChem CID
- 169840
- UNII
- Z6X7564WJ3
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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