9-Hydroxy-4,7,11,14-tetrathiaheptadecane-1,17-dioic acid
Basic information
- CAS
114315-34-3- Standard SMILES
O=C(O)CCSCCSCC(O)CSCCSCCC(=O)O- InChIKey
DYGFKXDMMXHBQQ-UHFFFAOYSA-N- Molecular formula
- C13H24O5S4
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.05065856
Names & identifiers
- Preferred name
- 9-Hydroxy-4,7,11,14-tetrathiaheptadecane-1,17-dioic acid
- IUPAC
- 3-[2-[3-[2-(2-carboxyethylsulfanyl)ethylsulfanyl]-2-hydroxypropyl]sulfanylethylsulfanyl]propanoic acid
Names & synonyms
114315-34-3SCHEMBL10800375DTXSID806032759-Hydroxy-4,7,11,14-tetrathiaheptadecane-1,17-dioic acid
Database identifiers
- CAS
114315-34-3- PubChem CID
- 20185052
- DTXSID
DTXSID80603275
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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