2-Deoxy-3,4,6-tris-o-(4-nitrobenzoyl)hexopyranosyl bromide
Basic information
- CAS
71024-00-5- Standard SMILES
O=C(OCC1OC(Br)CC(OC(=O)c2ccc([N+](=O)[O-])cc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
FQFAATJGDXZDQV-UHFFFAOYSA-N- Molecular formula
- C27H20BrN3O13
- Average molar mass
- 674.4 g/mol
- Monoisotopic mass
- 673.01795
Names & identifiers
- Preferred name
- 2-Deoxy-3,4,6-tris-o-(4-nitrobenzoyl)hexopyranosyl bromide
- IUPAC
- [6-bromo-3,4-bis[(4-nitrobenzoyl)oxy]oxan-2-yl]methyl 4-nitrobenzoate
Names & synonyms
71024-00-5NSC1382762-deoxy-3,4,6-tris-o-(4-nitrobenzoyl)hexopyranosyl bromideDTXSID30991331NSC-138276
Database identifiers
- CAS
71024-00-5- PubChem CID
- 283453
- DTXSID
DTXSID30991331
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,070
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Compound notes
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