Basic information
- CAS
145986-14-7- Standard SMILES
O=c1[nH]c(=O)n([C@H]2CS[C@H](CO)O2)cc1Cl- InChIKey
DVJJKFFBFIKNCE-PHDIDXHHSA-N- Molecular formula
- C8H9ClN2O4S
- Average molar mass
- 264.69 g/mol
- Monoisotopic mass
- 263.9971556
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-trans)-
- IUPAC
- 5-chloro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Names & synonyms
Oxathiolan 5ClU-alpha145986-14-72,4(1H,3H)-Pyrimidinedione, 5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-trans)-(+)-(2R,5R)-5-Chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracilOxathiolan 5ClU-.a.(+)-(2R,5R)-5-Chloro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]uracil2,4(1H,3H)-Pyrimidinedione, 5-chloro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2R-trans)-CHEMBL299930DTXSID601632265-chloro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione5-Chloro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
145986-14-7- PubChem CID
- 454512
- DTXSID
DTXSID60163226- ChEMBL
CHEMBL299930- Nikkaji
- J528.680H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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