2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2S-cis)-
Basic information
- CAS
137530-42-8- Standard SMILES
Nc1nc(=O)n([C@H]2CS[C@@H](CO)O2)cc1Cl- InChIKey
SUAKTABSHMTKSV-RITPCOANSA-N- Molecular formula
- C8H10ClN3O3S
- Average molar mass
- 263.7 g/mol
- Monoisotopic mass
- 263.0131401
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2S-cis)-
- IUPAC
- 4-amino-5-chloro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Names & synonyms
Oxathiolan, 5ClC-(+)-beta137530-42-82(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2S-cis)-(+)-(2S,5R)-5-Chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine4-amino-5-chloro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one(+)-(2S,5R)-5-Chloro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine2(1H)-Pyrimidinone, 4-amino-5-chloro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2S-cis)-(+/-)-5-ClSddCCHEMBL89764Oxathiolan, 5ClC-(+).b.SCHEMBL6404060DLS-023
Show more names
DTXSID301602272'-Deoxy-5-chloro-3'-thiacytidine4-Amino-5-chloro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one
Database identifiers
- CAS
137530-42-8- PubChem CID
- 455175
- DTXSID
DTXSID30160227- ChEMBL
CHEMBL89764- Nikkaji
- J558.737I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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