Basic information
- CAS
17331-65-6- Standard SMILES
Cc1nn(C2CC(OC(=O)c3ccc([N+](=O)[O-])cc3)C(OC(=O)c3ccc([N+](=O)[O-])cc3)C(COC(=O)c3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O- InChIKey
MIFXJGYIGLJNNL-UHFFFAOYSA-N- Molecular formula
- C31H24N6O15
- Average molar mass
- 720.6 g/mol
- Monoisotopic mass
- 720.12996408
Names & identifiers
- Preferred name
- 2-[2-Deoxy-3,4,6-tris-o-(4-nitrobenzoyl)hexopyranosyl]-6-methyl-1,2,4-triazine-3,5(2h,4h)-dione
- IUPAC
- [6-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-bis[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate
Names & synonyms
17331-65-6NSC1382752-[2-deoxy-3,4,6-tris-o-(4-nitrobenzoyl)hexopyranosyl]-6-methyl-1,2,4-triazine-3,5(2h,4h)-dioneDTXSID10300669NSC-138275
Database identifiers
- CAS
17331-65-6- PubChem CID
- 283452
- DTXSID
DTXSID10300669
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 287 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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