Basic information
- CAS
121770-19-2- Standard SMILES
CCCCOc1cc(C[C@H](N)C(=O)O)ccc1O- InChIKey
XPKFGLSHFSMLRL-JTQLQIEISA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- Levodopa 4-hydroxybutyl ester
- IUPAC
- (2S)-2-amino-3-(3-butoxy-4-hydroxyphenyl)propanoic acid
- English name
- levodopa 4-hydroxybutyl ester
- Molecular formula
- C13H19NO4
- Molecular weight
- 253.29426
Names & synonyms
Levodopa 4-hydroxybutyl ester121770-19-2DTXSID40153362RefChem:153199DTXCID6075853(2S)-2-amino-3-(3-butoxy-4-hydroxyphenyl)propanoic acid3-Butoxy-L-tyrosineLevodopa Impurity 24
Database identifiers
- CAS
121770-19-2- PubChem CID
- 84026
- DTXSID
DTXSID40153362
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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