[6-Bromo-4,5-bis[(4-nitrobenzoyl)oxy]oxan-3-yl] 4-nitrobenzoate
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Basic information
- CAS
18039-23-1- Standard SMILES
O=C(OC1COC(Br)C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
PRTNQVCMHBOSNT-UHFFFAOYSA-N- Molecular formula
- C26H18BrN3O13
- Average molar mass
- 660.3 g/mol
- Monoisotopic mass
- 659.0023
Names & identifiers
- Preferred name
- [6-Bromo-4,5-bis[(4-nitrobenzoyl)oxy]oxan-3-yl] 4-nitrobenzoate
- IUPAC
- [6-bromo-4,5-bis[(4-nitrobenzoyl)oxy]oxan-3-yl] 4-nitrobenzoate
- English name
- 2-O,3-O,4-O-Tris(p-nitrobenzoyl)-β-D-arabinopyranosyl bromide
- Molecular formula
- C26H18BrN3O13
- Molecular weight
- 660.34
Names & synonyms
18039-23-1[6-bromo-4,5-bis[(4-nitrobenzoyl)oxy]oxan-3-yl] 4-nitrobenzoate2,3,4-tris-o-(4-nitrobenzoyl)pentopyranosyl bromideNSC113468DTXSID802970522-O,3-O,4-O-Tris(p-nitrobenzoyl)-beta-D-arabinopyranosyl bromideNSC-113468Arabinopyranosyl bromide, tris(p-nitrobenzoate), β-D- (8CI)2-O,3-O,4-O-Tris(p-nitrobenzoyl)-β-D-arabinopyranosyl bromide
Database identifiers
- CAS
18039-23-1- PubChem CID
- 270735
- DTXSID
DTXSID80297052
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 817.8 · 817.8±65.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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