3-[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1-methyl-1-nitrosourea
Basic information
- CAS
71120-36-0- Standard SMILES
CN(N=O)C(=O)NCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O- InChIKey
CTVPEWIJFOOXLQ-UHFFFAOYSA-N- Molecular formula
- C11H15N5O7
- Average molar mass
- 329.27 g/mol
- Monoisotopic mass
- 329.09714783
Names & identifiers
- Preferred name
- 3-[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1-methyl-1-nitrosourea
- IUPAC
- 3-[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1-methyl-1-nitrosourea
Names & synonyms
NSC30912871120-36-0DTXSID00316956NSC-3091281-(5-Deoxy-5-{[methyl(nitroso)carbamoyl]amino}pentofuranosyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
71120-36-0- PubChem CID
- 328836
- DTXSID
DTXSID00316956
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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