CID 331233
Basic information
- CAS
83983-96-4- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)C[C@@H]2O)cc1Br- InChIKey
VUXYQPXAGVWPHV-DTLFHODZSA-N- Molecular formula
- C10H13BrN2O4
- Average molar mass
- 305.12 g/mol
- Monoisotopic mass
- 304.00587
Names & identifiers
- Preferred name
- CID 331233
- IUPAC
- 5-bromo-1-[(1S,2S,4R)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Names & synonyms
NSC32182083983-96-4DTXSID40317902NSC-3218205-Bromo-1-[(1S,2S,4R)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
83983-96-4- PubChem CID
- 331233
- DTXSID
DTXSID40317902
Properties
Computed structural properties
- XLogP
- -0.4
- 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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