Adenosine, 5'-S-(3-carboxypropyl)-5'-thio-
Basic information
- CAS
53186-60-0- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCC(=O)O)[C@@H](O)[C@H]1O- InChIKey
IYLCXXRWHSNWCC-FRJWGUMJSA-N- Molecular formula
- C14H19N5O5S
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.1106899
Names & identifiers
- Preferred name
- Adenosine, 5'-S-(3-carboxypropyl)-5'-thio-
- IUPAC
- 4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Names & synonyms
53186-60-0Adenosine, 5'-S-(3-carboxypropyl)-5'-thio-4-((((2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)butanoic acidCHEMBL3397227SCHEMBL18121993DTXSID304607145'-S-(3-Carboxypropyl)-5'-thioadenosine
Database identifiers
- CAS
53186-60-0- PubChem CID
- 11268682
- DTXSID
DTXSID30460714- ChEMBL
CHEMBL3397227- Nikkaji
- J1.254.288G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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