(+)-(2S,5R)-5-Iodo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracil
Basic information
- CAS
137530-48-4- Standard SMILES
O=c1[nH]c(=O)n([C@H]2CS[C@@H](CO)O2)cc1I- InChIKey
UYRNPIMGMUUQJL-RITPCOANSA-N- Molecular formula
- C8H9IN2O4S
- Average molar mass
- 356.14 g/mol
- Monoisotopic mass
- 355.93278
Names & identifiers
- Preferred name
- (+)-(2S,5R)-5-Iodo-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracil
- IUPAC
- 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidine-2,4-dione
Names & synonyms
137530-48-41-((2S,5R)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodopyrimidine-2,4(1H,3H)-dione(+)-(2S,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-, (2S-cis)-Oxathiolan, 5IU-( )-betaOxathiolan, 5IU-(+)-beta(+)-(2S,5R)-5-Iodo-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]uracil1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodo-pyrimidine-2,4-dione1-[(2S,5R)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodopyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-iodo-, (2S-cis)-5-I SddU, 5-ISddUOxathiolan, 5IU-(+).b.
Show more names
CHEMBL330542SCHEMBL8355338DLS-029DTXSID201602312'-Deoxy-5-iodo-3'-thiauridine
Database identifiers
- CAS
137530-48-4- PubChem CID
- 455173
- DTXSID
DTXSID20160231- ChEMBL
CHEMBL330542- Nikkaji
- J558.732H
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
Loading…