Basic information
- CAS
96673-02-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC- InChIKey
KZTJQXAANJHSCE-UHFFFAOYSA-N- Molecular formula
- C36H73NO3
- Average molar mass
- 568 g/mol
- Monoisotopic mass
- 567.55904519
Names & identifiers
- Preferred name
- 2-Octadecanoylaminooctadecane-1,3-diol
- IUPAC
- N-(1,3-dihydroxyoctadecan-2-yl)octadecanamide
Names & synonyms
2-octadecanoylaminooctadecane-1,3-diolN-stearoyl-D-erythro-sphinganineCeramide II (NG)96673-02-8N-(1,3-dihydroxyoctadecan-2-yl)octadecanamideSCHEMBL199893DTXSID00401295Cer 18:0;2O/18:0
Database identifiers
- CAS
96673-02-8- PubChem CID
- 4255985
- DTXSID
DTXSID00401295
Properties
Computed structural properties
- XLogP
- 14.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 33
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 498
Related reactions
7 records
Compound notes
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