1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)-
Basic information
- CAS
145913-81-1- Standard SMILES
Nc1nc(Cl)c2ncn([C@@H]3CS[C@H](CO)O3)c2n1- InChIKey
ZQYFBYPPSPKXNN-CRCLSJGQSA-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-cis)-
- IUPAC
- [(2R,5S)-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-cis)-145913-81-1(-)-(2R,5S)-2-Amino-6-chloro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine(-)-(2R,5S)-2-Amino-6-chloro-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]purineCHEMBL293575DTXSID20163207[(2R,5S)-5-(2-Amino-6-chloro-9H-purin-9-yl)-1,3-oxathiolan-2-yl]methanol[(2R,5S)-5-(2-amino-6-chloro-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
Database identifiers
- CAS
145913-81-1- PubChem CID
- 454535
- DTXSID
DTXSID20163207- ChEMBL
CHEMBL293575- Nikkaji
- J528.692A
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
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Compound notes
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