Basic information
- CAS
332103-81-8- Standard SMILES
CC(C)OCC(O)Cn1c(N/N=C\c2ccccc2O)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
WXVSBZKPEWFEPC-ZBKNUEDVSA-N- Molecular formula
- C19H24N6O5
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.18081789
Names & identifiers
- Preferred name
- 2-Hydroxybenzaldehyde [7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL]hydrazone
- IUPAC
- 8-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione
- English name
- (E)-7-(2-hydroxy-3-isopropoxypropyl)-8-(2-(2-hydroxybenzylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
- Molecular formula
- C19H24N6O5
- Molecular weight
- 416.43
Names & synonyms
2-HYDROXYBENZALDEHYDE [7-(2-HYDROXY-3-ISOPROPOXYPROPYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE(E)-7-(2-hydroxy-3-isopropoxypropyl)-8-(2-(2-hydroxybenzylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dioneBenzaldehyde, 2-hydroxy-, 2-[2,3,6,7-tetrahydro-7-[2-hydroxy-3-(1-methylethoxy)propyl]-3-methyl-2,6-dioxo-1H-purin-8-yl]hydrazone
Database identifiers
- CAS
332103-81-8- PubChem CID
- 136994580
- EC Number
- 168-584-0
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 8.67 · 8.67±0.35(Predicted)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…