Methyldopa pivaloyloxyethyl ester phosphate
Basic information
- CAS
111726-69-3- Standard SMILES
CC(OC(=O)C(C)(C)C)OC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.O=P(O)(O)O- InChIKey
LIMIEGUUDLBKHY-CBAQISRPSA-N- Molecular formula
- C17H28NO10P
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 437.14508309
Names & identifiers
- Preferred name
- Methyldopa pivaloyloxyethyl ester phosphate
- IUPAC
- 1-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoyl]oxyethyl 2,2-dimethylpropanoate;phosphoric acid
Names & synonyms
JFD7UQ1QQJMethyldopa pivaloyloxyethyl ester phosphateUNII-JFD7UQ1QQJ111726-69-3L-Tyrosine, 3-hydroxy-alpha-methyl-, 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester, phosphate (1:1) (salt)L-TYROSINE, 3-HYDROXY-.ALPHA.-METHYL-, 1-(2,2-DIMETHYL-1-OXOPROPOXY)ETHYL ESTER, PHOSPHATE (1:1) (SALT)
Database identifiers
- CAS
111726-69-3- PubChem CID
- 12439697
- UNII
- JFD7UQ1QQJ
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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