1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Basic information
- CAS
131086-26-5- Standard SMILES
O=c1ccn([C@H]2CS[C@@H](CO)O2)c(=O)[nH]1- InChIKey
BNVOMPQTQUUYHU-RQJHMYQMSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.03612798
Names & identifiers
- Preferred name
- 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
- IUPAC
- 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Names & synonyms
SddU1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione149819-44-3131086-26-5Cis-2-Hydroxymethyl-5-(uracil-N-1'-yl)-1,3-oxathiolane(+)-(2S,5R)-1-(2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)uracil1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2S-cis)-2,4(1H,3H)-Pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-2,4(1H,3H)-Pyrimidinedione, 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2S-cis)-ASC6Q46BYTOxathiolanU-(+)-beta
Show more names
(+)-(2S,5R)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]uracil2,4(1H,3H)-Pyrimidinedione, 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, cis-OxathiolanU-(+).b.UNII-ASC6Q46BYTTN6Y93QVS91-((2RS,5SR)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)uracilCHEMBL330345SCHEMBL5079275
Database identifiers
- CAS
131086-26-5、149819-44-3- PubChem CID
- 452948
- DTXSID
DTXSID50927071- ChEMBL
CHEMBL330345- UNII
- TN6Y93QVS9
- Nikkaji
- J558.723I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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