Basic information
- CAS
4060-28-0- Standard SMILES
COC1OC(COC(=O)c2ccc([N+](=O)[O-])cc2)C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1OCc1ccccc1- InChIKey
FOHCZFIFVVCWPX-UHFFFAOYSA-N- Molecular formula
- C27H24N2O11
- Average molar mass
- 552.5 g/mol
- Monoisotopic mass
- 552.13800959
Names & identifiers
- Preferred name
- Methyl 2-O-benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranoside
- IUPAC
- [5-methoxy-3-(4-nitrobenzoyl)oxy-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate
Names & synonyms
4060-28-0Methyl 2-O-benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranosideNSC133419DTXSID50961011FOHCZFIFVVCWPX-UHFFFAOYSA-NNSC-133419Methyl 2-O-benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranoside #.beta.-Methyl-2-O-benzyl-3,5-O-di-p-nitrobenzoyl-d-arabinofursnose
Database identifiers
- CAS
4060-28-0- PubChem CID
- 280987
- DTXSID
DTXSID50961011
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 869
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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