Basic information
- CAS
149819-58-9- Standard SMILES
OC[C@H]1O[C@H](n2cnc3c(Cl)ncnc32)CS1- InChIKey
JDKFRCWQPOWKOE-WDSKDSINSA-N- Molecular formula
- C9H9ClN4O2S
- Average molar mass
- 272.71 g/mol
- Monoisotopic mass
- 272.0134744
Names & identifiers
- Preferred name
- 1,3-Oxathiolane-2-methanol, 5-(6-chloro-9H-purin-9-yl)-, (2S-trans)-
- IUPAC
- [(2S,5S)-5-(6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Names & synonyms
Oxathiolan, 6ClPur-(-)-alpha1,3-Oxathiolane-2-methanol, 5-(6-chloro-9H-purin-9-yl)-, (2S-trans)-149819-58-9(-)-(2S,5S)-6-Chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine(-)-(2S,5S)-6-Chloro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]purineCHEMBL86550Oxathiolan, 6ClPur-(-).a.DTXSID10164400[(2S,5S)-5-(6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol[(2S,5S)-5-(6-chloro-9H-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
Database identifiers
- CAS
149819-58-9- PubChem CID
- 455178
- DTXSID
DTXSID10164400- ChEMBL
CHEMBL86550- Nikkaji
- J558.744A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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