Basic information
- CAS
3195-65-1- Standard SMILES
COC(=O)[C@@H](N)Cc1ccc(O)c([N+](=O)[O-])c1- InChIKey
WMZFQRWZCGEEOA-ZETCQYMHSA-N- Molecular formula
- C10H12N2O5
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.07462149
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Nitrotyrosine methyl ester
- IUPAC
- methyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
- English name
- (S)-2-Amino-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester
- Molecular formula
- C10H12N2O5
- Molecular weight
- 240.21
Names & synonyms
3195-65-12-Nitrotyrosine methyl esterDTXSID60185786L-Tyrosine, 3-nitro-, methyl esterRefChem:88760DTXCID00108277methyl 3-nitro-l-tyrosinatemethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate(S)-2-AMINO-3-(4-HYDROXY-3-NITRO-PHENYL)-PROPIONIC ACID METHYL ESTER(S)-Methyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoateSCHEMBL6935540MFCD09031837
Show more names
3-nitro- L-Tyrosine methyl ester
AKOS015966025AC-20661EN300-6747021(S)-Methyl2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
Database identifiers
- CAS
3195-65-1- PubChem CID
- 193371
- DTXSID
DTXSID60185786
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 377.4 · 377.4±37.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- 6.99 · 6.99±0.14(Predicted)
Chemistry & industry
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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