Basic information
- CAS
29781-51-9- Standard SMILES
O=C(OCC1OC(O)C(O)C1NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1- InChIKey
BNTXHMKTZOEDGU-UHFFFAOYSA-N- Molecular formula
- C14H13F3N2O8
- Average molar mass
- 394.26 g/mol
- Monoisotopic mass
- 394.06239986
Names & identifiers
- Preferred name
- 3-Deoxy-5-o-(4-nitrobenzoyl)-3-[(trifluoroacetyl)amino]pentofuranose
- IUPAC
- [4,5-dihydroxy-3-[(2,2,2-trifluoroacetyl)amino]oxolan-2-yl]methyl 4-nitrobenzoate
Names & synonyms
29781-51-93-deoxy-5-o-(4-nitrobenzoyl)-3-[(trifluoroacetyl)amino]pentofuranoseNSC137541DTXSID30300545NSC-1375413-Deoxy-5-O-(4-nitrobenzoyl)-3-(2,2,2-trifluoroacetamido)pentofuranose
Database identifiers
- CAS
29781-51-9- PubChem CID
- 283183
- DTXSID
DTXSID30300545
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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