9-(4-Thio-2,3-dideoxy-beta-D-ribofuranosyl)-2,6-diaminopurine
Basic information
- CAS
137719-31-4- Standard SMILES
Nc1nc(N)c2ncn([C@H]3CC[C@@H](CO)S3)c2n1- InChIKey
XCBQEWWAIKYUCJ-NTSWFWBYSA-N- Molecular formula
- C10H14N6OS
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.09498026
Names & identifiers
- Preferred name
- 9-(4-Thio-2,3-dideoxy-beta-D-ribofuranosyl)-2,6-diaminopurine
- IUPAC
- [(2S,5R)-5-(2,6-diaminopurin-9-yl)thiolan-2-yl]methanol
Names & synonyms
137719-31-49-(4-Thio-2,3-dideoxy-beta-D-ribofuranosyl)-2,6-diaminopurineDTXSID20160271[(2S,5R)-5-(2,6-diamino-9H-purin-9-yl)thiolan-2-yl]methanol2-Amino-2',3'-dideoxy-4'-thio-Adenosine[(2S,5R)-5-(2,6-diaminopurin-9-yl)tetrahydrothiophen-2-yl]methanol
Database identifiers
- CAS
137719-31-4- PubChem CID
- 453758
- DTXSID
DTXSID20160271- Nikkaji
- J459.039B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
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Related reactions
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Compound notes
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