Basic information
- CAS
2076-57-5- Standard SMILES
CO[C@H](C)[C@H](N)C(=O)O- InChIKey
FYCWLJLGIAUCCL-DMTCNVIQSA-N- Molecular formula
- C5H11NO3
- Average molar mass
- 133.15 g/mol
Overview
O-methyl-L-threonine is an L-threonine derivative that is L-threonine with a methyl group replacing the hydrogen on the hydroxy side chain. It has a role as a bleaching agent and an antibacterial agent. It is an ether, a non-proteinogenic L-alpha-amino acid and a L-threonine derivative.
Names & identifiers
- Preferred name
- O-Methylthreonine
- IUPAC
- (2S,3R)-2-amino-3-methoxybutanoic acid
- English name
- O-Methyl-L-threonine
- Molecular formula
- C5H11NO3
- Molecular weight
- 133.15
Names & synonyms
O-METHYL-L-THREONINE4144-02-9H-Thr(Me)-OHO-methylthreonineO-Methyl threonineL-Threonine, O-methyl-Threonine, O-methyl-L-Threonine methyl etherO-methyl-threonineOAI4PJX6XSl-o-methylthreonineDTXSID20195962
Show more names
Thr(Me)H-Thr(Me)L-Thr(me)L-Thr(Me)-OHZ-Thr(Me)-OHH-L-Thr(Me)-OH
UNII-OAI4PJX6XS4385-90-4Butyric acid, 2-amino-3-methoxy-, L-(2S,3R)-2-amino-3-methoxybutyric acidCHEBI:44514RefChem:167276DTXCID60118453(2S,3R)-2-Amino-3-methoxybutanoate
Database identifiers
- CAS
2076-57-5、4144-02-9、4385-90-4- PubChem CID
- 2724875
- DTXSID
DTXSID20195962- ChEMBL
CHEMBL1234983- ChEBI
CHEBI:44514- UNII
- L3LE2Y8VVL、OAI4PJX6XS
- EC Number
- 690-841-5
- Nikkaji
- J669.036J
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 214 · 214-216 °C
- Boiling point
- 248 · 248.0±30.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly), Water (Sparingly)
- pka
- 2.12 · 2.12±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- optical activity
- -33.9 ° · -33.9°(C=0.01g/ml H2O)
- Stability
- Hygroscopic
- InChI
- InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1
- InChIKey
- FYCWLJLGIAUCCL-DMTCNVIQSA-N
- SMILES
- C(O)(=O)[C@H]([C@H](OC)C)N
- CAS DataBase Reference
- 4144 · 4144-02-9(CAS DataBase Reference)
- FDA UNII
- 4 PJX6XS · OAI4PJX6XS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- wgk
- 3
- hs_code
- 2922500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesO-Methyl-L-threonine can be used as photoresists.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: O-methyl-L-threonine is an L-threonine derivative that is L-threonine with a methyl group replacing the hydrogen on the hydroxy side chain. It has a role as a bleaching agent and an antibacterial agent. It is a non-proteinogenic L-alpha-amino acid, a L-threonine derivative and an ether.
Related reactions
10 records
Compound notes
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