(±)-Threonine

C₄H₉NO₃CAS 80-68-2119.12 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Primary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

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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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Threonine
DL-Threonine
Threonine, DL-
NSC 206292

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

Same formula

4-Amino-2-hydroxybutanoic acid13477-53-7 Allothreonine144-98-9 Homoserine1927-25-9 D-Allothreonine24830-94-2 L-Allothreonine28954-12-3 4-Amino-3-hydroxybutanoic acid352-21-6 2-Methylserine5424-29-3 D-Homoserine6027-21-0

Elsewhere

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