Basic information
- CAS
4060-29-1- Standard SMILES
O=C(OCC1OC(O)C(OCc2ccccc2)C1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
BEWVYGIHUQSBOX-UHFFFAOYSA-N- Molecular formula
- C26H22N2O11
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 538.12235952
Names & identifiers
- Preferred name
- 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose
- IUPAC
- [5-hydroxy-3-(4-nitrobenzoyl)oxy-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate
Names & synonyms
2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranoseDTXSID903001824060-29-1RefChem:264470DTXCID40251317NSC135298BEWVYGIHUQSBOX-UHFFFAOYSA-NNSC-1352982-O-Benzyl 3,5-di-p-nitrobenzoyl-d-arabinoside2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose #
Database identifiers
- CAS
4060-29-1- PubChem CID
- 282128
- DTXSID
DTXSID90300182
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 853
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…