[2,3,4-Triacetyloxy-6-(6-aminopurin-9-yl)-5-(2,4-dinitroanilino)-6-ethoxyhexyl] acetate
Basic information
- CAS
3702-91-8- Standard SMILES
CCOC(C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)n1cnc2c(N)ncnc21- InChIKey
FCYBYSYTASBUDX-UHFFFAOYSA-N- Molecular formula
- C27H32N8O13
- Average molar mass
- 676.6 g/mol
- Monoisotopic mass
- 676.20888311
Names & identifiers
- Preferred name
- [2,3,4-Triacetyloxy-6-(6-aminopurin-9-yl)-5-(2,4-dinitroanilino)-6-ethoxyhexyl] acetate
- IUPAC
- [2,3,4-triacetyloxy-6-(6-aminopurin-9-yl)-5-(2,4-dinitroanilino)-6-ethoxyhexyl] acetate
Names & synonyms
3702-91-8NSC87923DTXSID80958196NSC-879233,4,5,6-Tetra-O-acetyl-1-C-(6-amino-9H-purin-9-yl)-2-deoxy-2-(2,4-dinitroanilino)-1-O-ethylhexitol
Database identifiers
- CAS
3702-91-8- PubChem CID
- 258665
- DTXSID
DTXSID80958196
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 288 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 18
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,170
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…