2Q9K7N8XM6
Basic information
- CAS
780701-81-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)/C=C/C(=O)O- InChIKey
ADLXKXIDPBSDJR-VHEBQXMUSA-N- Molecular formula
- C26H47NO6
- Average molar mass
- 469.7 g/mol
- Monoisotopic mass
- 469.34033822
Names & identifiers
- Preferred name
- 2Q9K7N8XM6
- IUPAC
- (E)-4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxobut-2-enoic acid
Names & synonyms
2Q9K7N8XM62-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]maleic acid2-Butenedioic acid (2Z)-, 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl] ester780701-81-7
Database identifiers
- CAS
780701-81-7- PubChem CID
- 6437142
- UNII
- 2Q9K7N8XM6
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 24
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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