1-[3,4-Dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
Basic information
- CAS
3257-76-9- Standard SMILES
O=c1ccn(C2OC(CI)C(O)C2O)c(=O)[nH]1- InChIKey
NEMNIUYGXIQPPK-UHFFFAOYSA-N- Molecular formula
- C9H11IN2O5
- Average molar mass
- 354.1 g/mol
- Monoisotopic mass
- 353.97127
Names & identifiers
- Preferred name
- 1-[3,4-Dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
- IUPAC
- 1-[3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
NSC5294403257-76-9DTXSID70326507NSC-529440LS-13626PD1999331-(5-Deoxy-5-iodopentofuranosyl)pyrimidine-2,4(1H,3H)-dione1-[3,4-dihydroxy-5-(iodomethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
3257-76-9- PubChem CID
- 352979
- DTXSID
DTXSID70326507
Properties
Computed structural properties
- XLogP
- -0.7
- 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
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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