L-Allothreonine
C₄H₉NO₃·119.120 g/mol·CID 99289
IUPAC: (2S,3S)-2-amino-3-hydroxybutanoic acid
Also known as: L-allo-threonine, 28954-12-3, (2S,3S)-2-amino-3-hydroxybutanoic acid, allo-L-Threonine, HCQ253CKVK (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
119.120g/mol
Exact Mass
119.058243Da
Monoisotopic Mass
119.058243Da
XLogP
-2.9
Polar Surface Area
83.6Ų
Complexity
93
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
8
Stereo Centers
2
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 119.1 g/mol
MW ≤ 500
✓ -2.9
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
Isomers8 compounds with formula C₄H₉NO₃
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 6288 · 119.1 g/mol
(2S)-2-amino-4-hydroxybutanoic acid
CID 12647 · 119.1 g/mol
2-amino-3-hydroxybutanoic acid
CID 205 · 119.1 g/mol
(2S,3R)-2-azaniumyl-3-hydroxybutanoate
CID 6971019 · 119.1 g/mol
(2R,3S)-2-amino-3-hydroxybutanoic acid
CID 69435 · 119.1 g/mol
4-amino-3-hydroxybutanoic acid
CID 2149 · 119.1 g/mol
2-methyl-2-nitropropan-1-ol
CID 6442 · 119.1 g/mol
(2S)-2-azaniumyl-4-hydroxybutanoate
CID 6971022 · 119.1 g/mol