2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose
Basic information
- CAS
4060-30-4- Standard SMILES
O=C(OCC1OC(OC(=O)c2ccc([N+](=O)[O-])cc2)C(OCc2ccccc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
BBJHLULGQRJIQT-UHFFFAOYSA-N- Molecular formula
- C33H25N3O14
- Average molar mass
- 687.6 g/mol
- Monoisotopic mass
- 687.13365248
Names & identifiers
- Preferred name
- 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose
- IUPAC
- [3,5-bis[(4-nitrobenzoyl)oxy]-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate
Names & synonyms
2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranoseDTXSID903002484060-30-4RefChem:264469DTXCID50251383NSC135684BBJHLULGQRJIQT-UHFFFAOYSA-NNSC-1356841,3,5-O-Tri-p-nitrobenzoyl-2-O-benzyl-d-arabinose2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose #
Database identifiers
- CAS
4060-30-4- PubChem CID
- 282299
- DTXSID
DTXSID90300248
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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