chempirical

(S)-Threonine

C4H9NO3CAS 72-19-5119.12 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
256 °C (decomposes)
logP
-1.22Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
72-19-5
SMILES
C[C@@H](O)[C@H](N)C(=O)O
InChIKey
AYFVYJQAPQTCCC-GBXIJSLDSA-N
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • L-(-)-Threonine
  • 2-Amino-3-hydroxybutyric acid
  • NSC 16589
  • NSC 46701
  • 48: PN: WO2004076659 FIGURE: 7 claimed protein
  • 46: PN: WO2005016244 PAGE: 70 claimed protein
  • 49: PN: WO2005016244 PAGE: 70 claimed protein
  • 3046: PN: WO2004111636 SEQID: 516 unclaimed protein
  • 2: PN: US20090069547 PAGE: 10 claimed protein
  • 17: PN: WO2011044089 SEQID: 18 claimed protein
  • 4: PN: WO2012076822 PAGE: 51 claimed sequence
  • (2S,3R)-2-Amino-3-hydroxybutanoic acid
  • Threonine
  • L-Threonine
  • Threonine, L-
  • Butanoic acid, 2-amino-3-hydroxy-, [R-(R*,S*)]-
  • Threonin
  • [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid

Work with (S)-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

Similar compounds

D-Threonine632-20-2100 % similar (2S,3R,4S)-4-Hydroxyisoleucine55399-93-474 % similar D-Valine640-68-662 % similar Valine72-18-462 % similar (2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid10148-71-761 % similar (2S,3S)-2-Amino-3-methoxybutanoic acid104195-80-452 % similar L-Alloisoleucine1509-34-852 % similar D-Alloisoleucine1509-35-952 % 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 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia