Basic information
- CAS
79893-89-3- Standard SMILES
COC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O- InChIKey
KHOWDUMYRBCHAC-SCZZXKLOSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- N-Benzoyl-L-threonine methyl ester
- IUPAC
- methyl (2S,3R)-2-benzamido-3-hydroxybutanoate
- English name
- Bz-Thr-OMe
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
N-Benzoyl-L-threonine methyl ester79893-89-3DTXSID30352948RefChem:363211DTXCID20304012BZ-THR-OMEMFCD00010394(2S,3R)-Methyl 2-benzamido-3-hydroxybutanoatemethyl (2S,3R)-2-benzamido-3-hydroxybutanoateSMR000639435methyl n-benzoyl-l-threoninateBenzoyl-D-threonine methyl ester
Show more names
Bz-L-Thr-OMeBZ-THREONINE-OMEBZ-THR-OME USP/EP/BPBENZOYL-L-THREONINE METHYL ESTERL-Threonine, N-benzoyl-, methyl esterN-alpha-Benzoyl-L-threonine methyl ester(2S 3R)-(+)-N-BENZOYLTHREONINEETHYL ESTERmethyl(2S,3R)-2-benzamido-3-hydroxybutanoate
methyl (2S,3R)-3-hydroxy-2-(phenylformamido)butanoatemethyl N-benzoylthreoninateMLS001075372MLS001075435SCHEMBL160178CHEMBL1878775KHOWDUMYRBCHAC-SCZZXKLOSA-NHMS2194G18
Database identifiers
- CAS
79893-89-3- PubChem CID
- 736181
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 97 · 97-99 °C(lit.)
- Boiling point
- 470.6 · 470.6±35.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT.
- pka
- 12.96 · 12.96±0.46(Predicted)
- Appearance
- Off-white to light yellow Solid
- optical activity
- 21 · [α]21/D +23°, c = 5 in ethanol
- CAS DataBase Reference
- 79893 · 79893-89-3(CAS DataBase Reference)
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Suppliers20 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海君悦生物科技有限公司021-51370612 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
6 records
Compound notes
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