Basic information
- CAS
15469-78-0- Standard SMILES
CCCCCCCC(O)CC(=O)SCCNC(C)=O- InChIKey
AKKZYNFGIOAWKB-UHFFFAOYSA-N- Molecular formula
- C14H27NO3S
- Average molar mass
- 289.44 g/mol
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- beta-Hydroxydecanoyl-N-acetylcysteamine
- IUPAC
- S-(2-acetamidoethyl) 3-hydroxydecanethioate
- English name
- 3-hydroxydecanoic acid N-acetylcysteamine thioester
- Molecular formula
- C14H27NO3S
- Molecular weight
- 289.43
Names & synonyms
3-Ohda-nacs15469-78-03-Hydroxydecanoic acid N-acetylcysteamine thioesterRefChem:917077beta-Hydroxydecanoyl-N-acetylcysteamineDTXSID00935045N-{2-[(3-Hydroxydecanoyl)sulfanyl]ethyl}ethanimidic acidDecanethioic acid, 3-hydroxy-, S-(2-(acetylamino)ethyl) esterDecanethioic acid, 3-hydroxy-, S-[2-(acetylamino)ethyl] ester
Database identifiers
- CAS
15469-78-0- PubChem CID
- 3036641
- DTXSID
DTXSID00935045
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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