rel-(betaS)-beta-Hydroxy-D-phenylalanine
Basic information
- CAS
6254-48-4- Standard SMILES
N[C@H](C(=O)O)[C@H](O)c1ccccc1- InChIKey
VHVGNTVUSQUXPS-JGVFFNPUSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- rel-(betaS)-beta-Hydroxy-D-phenylalanine
- IUPAC
- (2S,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid
- English name
- 3-Phenyl-L-serine
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
Phenylserine, threo-Threo-3-phenylserineSerine, 3-phenyl-, threo-91VU0G1B7YDTXSID401296197Phenylalanine, beta-hydroxy-, threo-D-Phenylalanine, beta-hydroxy-, (betaS)-rel-RefChem:1098001DTXCID601726708rel-(betaS)-beta-Hydroxy-D-phenylalanine7695-56-9L-threo-phenylserine
Show more names
3-phenyl-L-serine(3R)-3-Phenylserine(2S,3R)-3-PHENYLSERINE(3R)-3-Phenyl-L-serineL-Threo-3-Phenylserine(R)-b-Hydroxy-L-phenylalanineL-Phenylalanine, β-hydroxy-, (βR)-(2S,3R)-2-Amino-3-phenyl-3-hydroxypropionic acid
(2S,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid(2S,3R)-2-amino-3-hydroxy-3-phenyl-propanoic acidMFCD00671668Threo-3-phenyl-DL-serinerel-(2S,3R)-2-Amino-3-hydroxy-3-phenylpropanoic acidL-erythro-phenylserineL-erythro-3-phenylserine(2S,3R)-2-Amino-3-hydroxy-3-phenylpropionic acid
Database identifiers
- CAS
6254-48-4、7695-56-9- PubChem CID
- 111178
- DTXSID
DTXSID80863731- UNII
- 91VU0G1B7Y
- Nikkaji
- J36.240I
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 178 · 178-181°C
- storage temp.
- Refrigerator
- solubility
- Acetonitrile (Slightly), Methanol (Sparingly), Water (Sparingly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/s3
- InChIKey
- VHVGNTVUSQUXPS-WWXSATIUNA-N
- SMILES
- C1(C=CC=CC=1)[C@@H](O)[C@H](N)C(=O)O |&1:6,8,r|
- CAS DataBase Reference
- 6254 · 6254-48-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P321
- HS Code
- 2922500090 · 2922500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338-P321
Chemistry & industry
Applications
UsesL-threo-Phenylserine is a valuable chiral synthon.
Additional notes
DefinitionChEBI: A L-phenylalanine derivative carrying a hydroxy substituent at position 3.
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Related reactions
1 records
Compound notes
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