Basic information
- CAS
144790-62-5- Standard SMILES
CCCCCCCCCCCCCCCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12- InChIKey
CTGOQSNAIRHHFC-UHFFFAOYSA-N- Molecular formula
- C26H39NO10S3
- Average molar mass
- 621.8 g/mol
- Monoisotopic mass
- 621.17360996
Names & identifiers
- Preferred name
- 8-(Hexadecanoylamino)naphthalene-1,3,6-trisulfonic acid
- IUPAC
- 8-(hexadecanoylamino)naphthalene-1,3,6-trisulfonic acid
Names & synonyms
8-(hexadecanoylamino)naphthalene-1,3,6-trisulfonic acid144790-62-5CHEMBL1441998-HEXADECANAMIDONAPHTHALENE-1,3,6-TRISULFONIC ACIDDTXSID803323968PalmitoylNH-Naphth-1,3,6triSO3H1,3,6-Naphthalenetrisulfonic acid, 8-[(1-oxohexadecyl)amino]-
Database identifiers
- CAS
144790-62-5- PubChem CID
- 454585
- DTXSID
DTXSID80332396- ChEMBL
CHEMBL144199- Nikkaji
- J527.795G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 18
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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