3-Hydroxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxoethoxy]propanal
Basic information
- CAS
17073-78-8- Standard SMILES
Cc1cn(C(C=O)OC(C=O)CO)c(=O)[nH]c1=O- InChIKey
ZTDAJZOXOGLQPV-UHFFFAOYSA-N- Molecular formula
- C10H12N2O6
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.06953611
Names & identifiers
- Preferred name
- 3-Hydroxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxoethoxy]propanal
- IUPAC
- 3-hydroxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxoethoxy]propanal
Names & synonyms
NSC26675217073-78-8DTXSID00313167NSC-2667523-Hydroxy-2-[1-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxoethoxy]propanal
Database identifiers
- CAS
17073-78-8- PubChem CID
- 320228
- DTXSID
DTXSID00313167
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 405
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Compound notes
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