1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-trans)-
Basic information
- CAS
145986-43-2- Standard SMILES
Nc1nc(Cl)c2ncn([C@H]3CS[C@H](CO)O3)c2n1- InChIKey
ZQYFBYPPSPKXNN-RFZPGFLSSA-N- Molecular formula
- C9H10ClN5O2S
- Average molar mass
- 287.73 g/mol
- Monoisotopic mass
- 287.0243734
Names & identifiers
- Preferred name
- 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-trans)-
- IUPAC
- [(2R,5R)-5-(2-amino-6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Names & synonyms
1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-trans)-145986-43-2(+)-(2R,5R)-2-Amino-6-chloro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine(+)-(2R,5R)-2-Amino-6-chloro-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]purineCHEMBL294695DTXSID40163244[(2R,5R)-5-(2-Amino-6-chloro-9H-purin-9-yl)-1,3-oxathiolan-2-yl]methanol[(2R,5R)-5-(2-amino-6-chloro-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
Database identifiers
- CAS
145986-43-2- PubChem CID
- 454536
- DTXSID
DTXSID40163244- ChEMBL
CHEMBL294695- Nikkaji
- J528.693J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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