Docosyl hydrogen fumarate
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Basic information
- CAS
45302-46-3- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)O- InChIKey
RMLKCUDDJZHVOL-GHVJWSGMSA-N- Molecular formula
- C26H48O4
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.35526001
Names & identifiers
- Preferred name
- Docosyl hydrogen fumarate
- IUPAC
- (E)-4-docosoxy-4-oxobut-2-enoic acid
- English name
- docosyl hydrogen fumarate
- Molecular formula
- C26H48O4
- Molecular weight
- 424.65692
Names & synonyms
Docosyl hydrogen fumarate45302-46-3EINECS 256-228-8Docosyl (2E)-2-butenedioateSCHEMBL29376332RMLKCUDDJZHVOL-GHVJWSGMSA-NDTXSID101310865NS00057616(2E)-4-(DOCOSYLOXY)-4-OXOBUT-2-ENOIC ACID
Database identifiers
- CAS
45302-46-3- PubChem CID
- 6452026
- DTXSID
DTXSID101310865- EC Number
- 256-228-8
Properties
Computed structural propertiesFilling in
- XLogP
- 10.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 24
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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