1-((2-Hydroxyethoxy)methyl)-5-nitrouracil
Basic information
- CAS
81797-05-9- Standard SMILES
O=c1[nH]c(=O)n(COCCO)cc1[N+](=O)[O-]- InChIKey
MNIUNDPUCLSZQM-UHFFFAOYSA-N- Molecular formula
- C7H9N3O6
- Average molar mass
- 231.16 g/mol
- Monoisotopic mass
- 231.04913502
Names & identifiers
- Preferred name
- 1-((2-Hydroxyethoxy)methyl)-5-nitrouracil
- IUPAC
- 1-(2-hydroxyethoxymethyl)-5-nitropyrimidine-2,4-dione
Names & synonyms
1-((2-Hydroxyethoxy)methyl)-5-nitrouracil81797-05-91-[(2-Hydroxyethoxy)methyl]-5-nitrouracilCHEMBL35179SCHEMBL10456669DTXSID70231369AKOS0159659511-(2-Hydroxy-ethoxymethyl)-5-nitro-1-(2-hydroxyethoxymethyl)-5-nitro-pyrimidine-2,4-dione1-[(2-Hydroxyethoxy)methyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
81797-05-9- PubChem CID
- 512646
- DTXSID
DTXSID70231369- ChEMBL
CHEMBL35179- Nikkaji
- J644.915H
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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