2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2S-cis)-
Basic information
- CAS
137623-41-7- Standard SMILES
Cc1cn([C@H]2CS[C@@H](CO)O2)c(=O)nc1N- InChIKey
ZQVQEBGUQLDSPM-RQJHMYQMSA-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-, (2S-cis)-
- IUPAC
- 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one
Names & synonyms
Oxathiolan, 5MeC-(+)-beta137623-41-72(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2S-cis)-(+)-(2S,5R)-5-Methyl-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine(+)-(2S,5R)-5-Methyl-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methyl-pyrimidin-2-one2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methyl-, (2S-cis)-Oxathiolan, 5MeC-(+).b.CHEMBL313807SCHEMBL6411276DLS-011DTXSID20160251
Show more names
2'-Deoxy-5-methyl-3'-thiacytidine5-Methyl SddC, 5-MethylSddC, 5-Me SddC4-Amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
137623-41-7- PubChem CID
- 455174
- DTXSID
DTXSID20160251- ChEMBL
CHEMBL313807- Nikkaji
- J558.734D
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
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