25-Hydroxyhentriacontane-14,16-dione
Basic information
- CAS
33256-70-1- Standard SMILES
CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(O)CCCCCC- InChIKey
MBWYKVFQDJGFDD-UHFFFAOYSA-N- Molecular formula
- C31H60O3
- Average molar mass
- 480.8 g/mol
- Monoisotopic mass
- 480.45424577
Names & identifiers
- Preferred name
- 25-Hydroxyhentriacontane-14,16-dione
- IUPAC
- 25-hydroxyhentriacontane-14,16-dione
- English name
- 25-Hydroxy-14,16-hentriacontanedione
- Molecular formula
- C31H60O3
- Molecular weight
- 480.81
Names & synonyms
25-hydroxyhentriacontane-14,16-dione14,16-Hentriacontanedione, 25-hydroxy-(S)-25-Hydroxy-14,16-hentriacontanedione25-Hydroxy-14,16-hentriacontanedione52262-75-614,16-Hentriacontanedione, 25-hydroxy-, (S)-SCHEMBL28742653DTXSID90336901MBWYKVFQDJGFDD-UHFFFAOYSA-N33256-70-1FOH 31:2;O2LMFA05000567
Show more names
25-Hydroxy-16,14-hentriacontanedione25-hydroxy-hentriacontane-14,16-dione
Database identifiers
- CAS
33256-70-1、52262-75-6- PubChem CID
- 537150
- DTXSID
DTXSID90336901- Nikkaji
- J129.849F
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 28
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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