2,4(1H,3H)-Pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2S-cis)-
Basic information
- CAS
137623-42-8- Standard SMILES
Cc1cn([C@H]2CS[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
GCMLYCFXOXELDY-RQJHMYQMSA-N- Molecular formula
- C9H12N2O4S
- Average molar mass
- 244.27 g/mol
- Monoisotopic mass
- 244.05177804
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2S-cis)-
- IUPAC
- 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
OxathiolanT-(+)-beta137623-42-82,4(1H,3H)-Pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2S-cis)-(+)-(2S,5R)-1-(2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)thymine(+)-(2S,5R)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]thymine1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methyl-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methyl-, (2S-cis)-OxathiolanT-(+).b.5-Me SddU, 5-MeSddUCHEMBL89447SCHEMBL14540328DTXSID80160252
Show more names
(+/-) Cis-2-hydroxymethyl-5-(thymin-N-1-yl)-1,3-oxathiolane1-[(2S,5R)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methyl-, (cis)-
Database identifiers
- CAS
137623-42-8- PubChem CID
- 452946
- DTXSID
DTXSID80160252- ChEMBL
CHEMBL89447- Nikkaji
- J558.725E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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