7-[3-[[2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione
Basic information
- CAS
40943-19-9- Standard SMILES
Cn1c(=O)c2c(ncn2CCCNCC(O)c2ccc(O)c(CO)c2)n(C)c1=O- InChIKey
XNGZKMBINSBRBB-UHFFFAOYSA-N- Molecular formula
- C19H25N5O5
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.18556891
Names & identifiers
- Preferred name
- 7-[3-[[2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione
- IUPAC
- 7-[3-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
NSC29389240943-19-9DTXSID70315299NSC-2938927-[3-({2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
40943-19-9- PubChem CID
- 325337
- DTXSID
DTXSID70315299
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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