Basic information
- CAS
59997-21-6- Standard SMILES
Cc1cc2cc3c(=O)n(C)c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C- InChIKey
CXISDLYLQBQSEI-UHFFFAOYSA-N- Molecular formula
- C19H23N3O6
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.15868546
Names & identifiers
- Preferred name
- 3,7,8-Trimethyl-10-(2,3,4,5-tetrahydroxypentyl)pyrimido[4,5-b]quinoline-2,4-dione
- IUPAC
- 3,7,8-trimethyl-10-(2,3,4,5-tetrahydroxypentyl)pyrimido[4,5-b]quinoline-2,4-dione
Names & synonyms
59997-21-6NSC2781663,7,8-trimethyl-10-(2,3,4,5-tetrahydroxypentyl)pyrimido[4,5-b]quinoline-2,4-dioneDTXSID30313892NSC-2781661-Deoxy-1-(3,7,8-trimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)pentitol
Database identifiers
- CAS
59997-21-6- PubChem CID
- 322154
- DTXSID
DTXSID30313892
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…