3,4-Bis(carboxymethyl)phenylalanine--hydrogen chloride (1/1)
Basic information
- CAS
37169-56-5- Standard SMILES
[Cl-].[NH3+]C(Cc1ccc(CC(=O)O)c(CC(=O)O)c1)C(=O)O- InChIKey
SXKMZEFRTCNFLX-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO6
- Average molar mass
- 317.72 g/mol
- Monoisotopic mass
- 317.0666149
Names & identifiers
- Preferred name
- 3,4-Bis(carboxymethyl)phenylalanine--hydrogen chloride (1/1)
- IUPAC
- [2-[3,4-bis(carboxymethyl)phenyl]-1-carboxyethyl]azanium chloride
Names & synonyms
DTXSID309583683,4-Bis(carboxymethyl)phenylalanine--hydrogen chloride (1/1)RefChem:1065708DTXCID601386277Diacetoxy L-dopa hydrochloride37169-56-53,4-Diacetyloxy-phenylalanine hydrochlorideALANINE, 3-(3,4-DIACETOXYPHENYL)-, HYDROCHLORIDE, L-
Database identifiers
- CAS
37169-56-5- PubChem CID
- 37707
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…