(±)-Threonine

C4H9NO3CAS 80-68-2119.12 g/mol

Open in Covalent MOL file
HONH2OOH
AlcoholCarboxylic acidPrimary amine

Properties

Molecular formula
C4H9NO3
Molar mass
119.12 g/mol
Exact mass
119.0582 Da
Melting point
228–229 °C (decomposes)
logP
-1.22Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
80-68-2
SMILES
C[C@H](O)[C@@H](N)C(=O)O
InChIKey
AYFVYJQAPQTCCC-FGNFWGHYNA-N
InChI
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/s2

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Names and synonyms

4 names
  • Threonine
  • DL-Threonine
  • Threonine, DL-
  • NSC 206292

Reactions

Work with (±)-Threonine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dl-threonine hydrate(2:1)6028-28-0Hydrate, enantiomer (S)-Threonine72-19-5Enantiomer L-Allothreonine28954-12-3Diastereomer D-Allothreonine24830-94-2Diastereomer Allothreonine144-98-9Diastereomer D-Threonine632-20-2

Similar compounds

4-Hydroxyisoleucine21704-86-974 % similar (2S,3R,4S)-4-Hydroxyisoleucine55399-93-474 % similar 4-Hydroxy-L-isoleucine781658-23-974 % similar DL-Valine516-06-362 % similar D-Valine640-68-662 % similar Valine72-18-462 % similar (2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid10148-71-761 % similar (2R,3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid87421-23-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-3-Amino-2-(hydroxymethyl)propanoic acid1217700-75-8 4-Amino-2-hydroxybutanoic acid13477-53-7 2-Methyl-L-serine16820-18-1 Homoserine1927-25-9 Dl-O-methylserine19794-53-7

Elsewhere

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