1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
Basic information
- CAS
83967-03-7- Standard SMILES
O=c1[nH]c(=O)n([C@@H]2C[C@H](CO)[C@@H](O)C2)cc1I- InChIKey
NEWOWXPKUVLDTM-JKMUOGBPSA-N- Molecular formula
- C10H13IN2O4
- Average molar mass
- 352.13 g/mol
- Monoisotopic mass
- 351.992
Names & identifiers
- Preferred name
- 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
- IUPAC
- 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
Names & synonyms
CHEMBL2311131NSC6410301-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-pyrimidine-2,4-dioneSCHEMBL3411578(+)-C-IDUBDBM504225661-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione1-[(1R,3S,4R)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-2,4(1H,3H)-pyrimidinedione114179-59-82,4(1H,3H)-Pyrimidinedione,1-[3-hydroxy-4-(hydroxymethyl)- cyclopentyl]-5-iodo-, (1alpha,3beta,4alpha)-(+ -)-Rel-1-[(1R,3S,4R)-3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodo-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
83967-03-7- PubChem CID
- 459905
- ChEMBL
CHEMBL2311131
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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