Basic information
- CAS
93780-25-7- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1I- InChIKey
XQFRJNBWHJMXHO-FSDSQADBSA-N- Molecular formula
- C9H11IN2O5
- Average molar mass
- 354.1 g/mol
- Monoisotopic mass
- 353.97127
Names & identifiers
- Preferred name
- 3'-epi-Idoxuridine
- IUPAC
- 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
- English name
- 3'-epi-Idoxuridine
- Molecular formula
- C9H11IN2O5
- Molecular weight
- 354.1
Names & synonyms
3'-epi-Idoxuridine93780-25-7Idoxuridine (Standard)Idoxuridine 3-Epi ImpurityCHEMBL55681SCHEMBL10015658HY-B0307RDTXSID504235631-(2-Deoxy-beta-D-threo-pentofuranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedioneAKOS015965006NCGC00179673-041-((2R,4R,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione
Show more names
Idoxuridine Impurity 33′-epi-Idoxuridine, CAS 93780-25-71-(2-Deoxy-β-D-threo-pentofuranosyl)-5-iodouracil1-(2-Deoxy-β-D-threo-pentofuranosyl)-5-iodo-2,4(1H,3H)-pyriMidinedione2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-D-threo-pentofuranosyl)-5-iodo-
1-(2-Deoxy-beta-D-threo-pentofuranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione1-((2R,4R,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione
Database identifiers
- CAS
93780-25-7- PubChem CID
- 511644
- DTXSID
DTXSID50423563- ChEMBL
CHEMBL55681
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 190 · 190-192 °C
- Density
- 2.14 · 2.14±0.1 g/cm3(Predicted)
- pka
- 7.94 · 7.94±0.10(Predicted)
Chemistry & industry
Applications
UsesThe 3’-enantiomer of Idoxuridine (I205750). Antitumor nucleoside enantiomer thymidine kinase used as potential antiviral agents.
Suppliers6 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione is a pyrimidine 2'-deoxyribonucleoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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