D-Allothreonine
Properties
- Molecular formula
- C4H9NO3
- Molar mass
- 119.12 g/mol
- Exact mass
- 119.0582 Da
- Melting point
- 272–272.5 °C (decomposes)
- logP
- -1.22Crippen estimate
- Polar surface area
- 83.5 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
- Stereocentres
- R, Rin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed90% of notifiers
- H315 Causes skin irritation95% of notifiers
- H319 Causes serious eye irritation95% of notifiers
- H335 May cause respiratory irritation95% of notifiers
Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
24830-94-2SMILES
C[C@@H](O)[C@@H](N)C(=O)OInChIKey
AYFVYJQAPQTCCC-PWNYCUMCSA-NInChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Allothreonine, D-
- D-Allo-Threonine
- (R)-Allothreonine
- (R)-Allo-Threonine
- (2R,3R)-Allothreonine
- NSC 206267
- (2R,3R)-3-Hydroxy-2-aminobutanoic acid
- (2R,3R)-2-Amino-3-hydroxybutanoic acid
Work with D-Allothreonine
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.
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