Methyl N-(tert-butoxycarbonyl)-2-fluoro-5-methoxy-O-methyl-L-tyrosinate
Basic information
- CAS
853759-49-6- Standard SMILES
COC(=O)[C@H](Cc1cc(OC)c(OC)cc1F)NC(=O)OC(C)(C)C- InChIKey
XSGLZBFKZWVZOE-LBPRGKRZSA-N- Molecular formula
- C17H24FNO6
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.15876565
Names & identifiers
- Preferred name
- Methyl N-(tert-butoxycarbonyl)-2-fluoro-5-methoxy-O-methyl-L-tyrosinate
- IUPAC
- methyl (2S)-3-(2-fluoro-4,5-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- English name
- N-tert-Butoxycarbonyl-2-fluoro-5-methoxy-4-O-methyl-L-tyrosine Methyl Ester
- Molecular formula
- C17H24FNO6
- Molecular weight
- 357.37
Names & synonyms
853759-49-6DTXSID80741242Methyl N-(tert-butoxycarbonyl)-2-fluoro-5-methoxy-O-methyl-L-tyrosinateRefChem:356748DTXCID90691986N-tert-Butoxycarbonyl-2-fluoro-5-methoxy-4-O-methyl-L-tyrosine Methyl Estermethyl (2S)-3-(2-fluoro-4,5-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(2-fluoro-4,5-dimethoxyphenyl)propanoateSCHEMBL6317580DB-327099methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(2-fluoro-4,5-dimethoxyphenyl)propanoateN-Butoxycarbonyl-4,5-diMethoxy-2-fluoro-L-phenylalanine Methyl Ester
Show more names
N-[(1,1-DiMethylethoxy)carbonyl]-2-fluoro-5-Methoxy-O-Methyl-L-tyrosine Methyl EsterL-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-5-methoxy-O-methyl-, methyl ester
Database identifiers
- CAS
853759-49-6- PubChem CID
- 69739889
- DTXSID
DTXSID80741242
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 462.1 · 462.1±45.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- solubility
- Dichloromethane,
- form
- Solid
- pka
- 10.81 · 10.81±0.46(Predicted)
- color
- White
Chemistry & industry
Applications
UsesProtected amino acid.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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