Basic information
- CAS
17073-64-2- Standard SMILES
Cn1c(=O)c2c(ncn2C(C=O)OC(C=O)CO)n(C)c1=O- InChIKey
BCQWAMFQENMYLI-UHFFFAOYSA-N- Molecular formula
- C12H14N4O6
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.09133418
Names & identifiers
- Preferred name
- 2-[1-(1,3-Dimethyl-2,6-dioxopurin-7-yl)-2-oxoethoxy]-3-hydroxypropanal
- IUPAC
- 2-[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-oxoethoxy]-3-hydroxypropanal
Names & synonyms
NSC26675317073-64-2DTXSID60313168NSC-2667532-[1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-2-oxoethoxy]-3-hydroxypropanal
Database identifiers
- CAS
17073-64-2- PubChem CID
- 320229
- DTXSID
DTXSID60313168
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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