Basic information
- CAS
5929-62-4- Standard SMILES
CCCCCCCCC(OC(C)=O)C(CCCCCCCC(=O)O)OC(C)=O- InChIKey
LARFWTRXFFKXOV-UHFFFAOYSA-N- Molecular formula
- C22H40O6
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.28248899
Names & identifiers
- Preferred name
- 9,10-Bis(acetoxy)octadecanoic acid
- IUPAC
- 9,10-diacetyloxyoctadecanoic acid
- English name
- 9,10-bis(acetoxy)octadecanoic acid
- Molecular formula
- C22H40O6
- Molecular weight
- 400.5494
Names & synonyms
9,10-Bis(acetoxy)octadecanoic acid5929-62-4CIQ3KRZ6AD9,10-Diacetoxystearic acid9,10-BIS(ACETYLOXY)OCTADECANOIC ACIDEINECS 227-668-8UNII-CIQ3KRZ6ADDTXSID70974724LARFWTRXFFKXOV-UHFFFAOYSA-Nerythro-9,10-diacetoxy-octadecanoic acidDB-325679NS00047393
Show more names
OCTADECANOIC ACID, 9,10-BIS(ACETYLOXY)-
Database identifiers
- CAS
5929-62-4- PubChem CID
- 110736
- DTXSID
DTXSID70974724- UNII
- CIQ3KRZ6AD
- EC Number
- 227-668-8
- Nikkaji
- J223.894B
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- FDA UNII
- 3 KRZ6AD · CIQ3KRZ6AD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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