2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2R-trans)-
Basic information
- CAS
145986-25-0- Standard SMILES
Cc1cn([C@H]2CS[C@H](CO)O2)c(=O)nc1N- InChIKey
ZQVQEBGUQLDSPM-RNFRBKRXSA-N- Molecular formula
- C9H13N3O3S
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.06776246
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2R-trans)-
- IUPAC
- 4-amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one
Names & synonyms
Oxathiolan 5MeC-alpha145986-25-02(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2R-trans)-(+)-(2R,5R)-5-Methyl-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine(+)-(2R,5R)-5-Methyl-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methyl-, (2R-trans)-Oxathiolan 5MeC-.a.CHEMBL293564DTXSID701632324-amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methyl-pyrimidin-2-one4-Amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
145986-25-0- PubChem CID
- 454518
- DTXSID
DTXSID70163232- ChEMBL
CHEMBL293564- Nikkaji
- J529.197F
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…