Basic information
- CAS
137819-73-9- Standard SMILES
OC[C@@H]1CC[C@H](n2cnc3c(Cl)ncnc32)S1- InChIKey
FVTOAGYDCTXLRX-NKWVEPMBSA-N- Molecular formula
- C10H11ClN4OS
- Average molar mass
- 270.74 g/mol
- Monoisotopic mass
- 270.0342099
Names & identifiers
- Preferred name
- 9-(2,3-Dideoxy-4-thio-alpha,beta-D-ribofuranosyl)-6-chloropurine
- IUPAC
- [(2S,5R)-5-(6-chloropurin-9-yl)thiolan-2-yl]methanol
Names & synonyms
137819-73-99-(2,3-Dideoxy-4-thio-alpha,beta-D-ribofuranosyl)-6-chloropurineDTXSID70160322[(2S,5R)-5-(6-Chloro-9H-purin-9-yl)thiolan-2-yl]methanol[(2S,5R)-5-(6-chloropurin-9-yl)tetrahydrothiophen-2-yl]methanol2-Thiophenemethanol,5-(6-chloro-9H-purin-9-yl)tetrahydro-,(2S-cis)-9-(2,3-Dideoxy-4-thio-.alpha.,.beta.-D-ribofuranosyl)-6-chloropurine
Database identifiers
- CAS
137819-73-9- PubChem CID
- 453755
- DTXSID
DTXSID70160322
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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