2(1H)-Pyrimidinone, 4-amino-5-bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-
Basic information
- CAS
145986-29-4- Standard SMILES
Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1Br- InChIKey
QDHJQKGCCKOBKX-NTSWFWBYSA-N- Molecular formula
- C8H10BrN3O3S
- Average molar mass
- 308.15 g/mol
- Monoisotopic mass
- 306.96262
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, 4-amino-5-bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-
- IUPAC
- 4-amino-5-bromo-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Names & synonyms
Oxathiolan 5BrC-beta145986-29-42(1H)-Pyrimidinone, 4-amino-5-bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-(-)-(2R,5S)-5-Bromo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosineOxathiolan 5BrC-.b.(-)-(2R,5S)-5-Bromo-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine2(1H)-Pyrimidinone, 4-amino-5-bromo-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2R-cis)-CHEMBL59067SCHEMBL30698171DTXSID101632364-amino-5-bromo-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one4-Amino-5-bromo-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one
Database identifiers
- CAS
145986-29-4- PubChem CID
- 454522
- DTXSID
DTXSID10163236- ChEMBL
CHEMBL59067- Nikkaji
- J528.672G
Properties
Computed structural properties
- XLogP
- 0
- 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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