Basic information
- CAS
145986-17-0- Standard SMILES
O=c1[nH]c(=O)n([C@H]2CS[C@H](CO)O2)cc1I- InChIKey
UYRNPIMGMUUQJL-PHDIDXHHSA-N- Molecular formula
- C8H9IN2O4S
- Average molar mass
- 356.14 g/mol
- Monoisotopic mass
- 355.93278
Names & identifiers
- Preferred name
- Oxathiolan 5IU-alpha
- IUPAC
- 1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidine-2,4-dione
Names & synonyms
Oxathiolan 5IU-alpha145986-18-1(+)-(2R,5R)-5-Iodo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracilOxathiolan 5IU-.a.(+)-(2R,5R)-5-Iodo-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]uracil2,4(1H,3H)-Pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodo-, (2R-trans)-2,4(1H,3H)-Pyrimidinedione, 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodo-, (2R-trans)-Oxathiolan 5IU-betaCHEMBL300546(-)-(2R,5S)-5-Iodo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracilDTXSID501632301-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodo-pyrimidine-2,4-dione
Show more names
1-[(2R,5R)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
145986-17-0、145986-18-1- PubChem CID
- 454516
- DTXSID
DTXSID50163230- ChEMBL
CHEMBL300546- Nikkaji
- J528.684K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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