Basic information
- CAS
75863-53-5- Standard SMILES
[N-]=[N+]=CC(=O)CCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O- InChIKey
YKOFCXRORGPJIJ-UHFFFAOYSA-N- Molecular formula
- C12H14N4O6
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.09133418
Names & identifiers
- Preferred name
- 1-[5-(4-Diazo-3-oxobutyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
- IUPAC
- 1-[5-(4-diazo-3-oxobutyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
75863-53-5DTXSID30714562NSC330759NSC-330759(1E)-1-Diazonio-4-[5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]but-1-en-2-olate
Database identifiers
- CAS
75863-53-5- PubChem CID
- 3545288
- DTXSID
DTXSID30714562
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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