Basic information
- CAS
86091-65-8- Standard SMILES
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
DCSVEDZIOSFADB-AWEZNQCLSA-N- Molecular formula
- C16H13N3O8
- Average molar mass
- 375.29 g/mol
- Monoisotopic mass
- 375.07026438
Names & identifiers
- Preferred name
- N-(3,5-Dinitrobenzoyl)tyrosine
- IUPAC
- (2S)-2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
- English name
- N-(3,5-dinitrobenzoyl)tyrosine
- Molecular formula
- C16H13N3O8
- Molecular weight
- 375.29
Names & synonyms
Dnb-tyrN-(3,5-Dinitrobenzoyl)tyrosine86091-65-8DTXSID40235394RefChem:161854DTXCID40157885N-(3,5-Dinitrobenzoyl)-L-tyrosine3,5-dinitrobenzoyltyrosineSCHEMBL453542L-Tyrosine, N-(3,5-dinitrobenzoyl)-
Database identifiers
- CAS
86091-65-8- PubChem CID
- 150646
- DTXSID
DTXSID40235394- Nikkaji
- J726.890D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Boiling point
- 642.5 · 642.5±55.0 °C(Predicted)
- Density
- 1.559 · 1.559±0.06 g/cm3(Predicted)
- pka
- 2.99 · 2.99±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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