Boc-N-methyl-L-threonine
Basic information
- CAS
101759-72-2- Standard SMILES
C[C@@H](O)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C- InChIKey
NHXZARPGSOCYMJ-RQJHMYQMSA-N- Molecular formula
- C10H19NO5
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.12632271
Names & identifiers
- Preferred name
- Boc-N-methyl-L-threonine
- IUPAC
- (2S,3R)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
- English name
- Boc-N-Me-Thr-OH
- Molecular formula
- C10H19NO5
- Molecular weight
- 233.26
Names & synonyms
101759-72-2Boc-N-methyl-L-threonineBOC-N-ME-THR-OH(2S,3R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-hydroxybutanoic acidN-(tert-Butoxycarbonyl)-N-methyl-L-threonine(2S,3R)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic AcidMFCD02259477L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-Boc-MeThr-OHN-Methyl-N-Boc-L-threonineSCHEMBL1486174DTXSID20426687
Show more names
(2R,3R)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acidBOC-L-METHR-OHBoc-N-Me-L-Thr-OHBOC-N-ME-THREONINEBOC-N-ME-THR-OH USP/EP/BPN-BOC-N-METHYL-L-THREONINEBoc-N-methyl-L-threonine≥ 98% (NMR)
AKOS015908219HY-W048839DA-71656CS-0101240S11586(2S,3R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-hydroxybutanoicacid(2S,3R)-2-[tert-butoxycarbonyl(methyl)amino]-3-hydroxy-butanoic acid
Database identifiers
- CAS
101759-72-2- PubChem CID
- 7010685
- DTXSID
DTXSID20426687
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 360 ℃ · 360℃
- Density
- 1.182 · 1.182
- Flash point
- 171 ℃ · 171℃
- storage temp.
- Store at RT.
- pka
- 3.61 · 3.61±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-(tert-Butoxycarbonyl)-N-methyl-L-threonine is a threonine derivative[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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