Basic information
- CAS
176035-22-6- Standard SMILES
CCCCCCCCCCCCOC(=O)C(O)C(O)C(=O)OCCCCCCCCCCCC- InChIKey
XDQOYCJMMFRBQS-UHFFFAOYSA-N- Molecular formula
- C28H54O6
- Average molar mass
- 486.7 g/mol
- Monoisotopic mass
- 486.39203944
Names & identifiers
- Preferred name
- Butanedioic acid, 2,3-dihydroxy-, didodecyl ester
- IUPAC
- didodecyl 2,3-dihydroxybutanedioate
Names & synonyms
176035-22-6Butanedioic acid, 2,3-dihydroxy-, didodecyl esterdidodecyl 2,3-dihydroxybutanedioateDi-dodecyl TartarateSCHEMBL2289008DTXSID30372707XDQOYCJMMFRBQS-UHFFFAOYSA-NAKOS004903503Butanedioic acid, 2,3-dihydroxy-, 1,4-didodecyl ester
Database identifiers
- CAS
176035-22-6- PubChem CID
- 2748044
- DTXSID
DTXSID30372707- Nikkaji
- J213.403I
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 27
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 426
Related reactions
1 records
Compound notes
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