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D-allo-Threonine

CAT: 0572-TRC-A548540-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-A548540-5GSize:5 g
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CAS Number
24830-94-2
Synonyms
D-Allothreonine; Allothreonine, D- (8CI); (2R,3R)-2-Amino-3-hydroxybutanoic acid; (2R,3R)-3-Hydroxy-2-aminobutanoic acid; (2R,3R)-Allothreonine; (R)-Allothreonine; (R)-allo-Threonine; D-allo-Threonine; NSC 206267; allo-D-Threonine
Hazard Statement
Not a hazardous substance according to GHS; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
C[C@@H](O)[C@@H](N)C(=O)O
Molecular Formula
C4 H9 N O3
Molecular Weight
119.12
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
Additionnal Information
IUPAC name: (2R,3R)-2-amino-3-hydroxybutanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

D-Allothreonine

D-allothreonine is the D-enantiomer of allothreonine. It occurs as a component of peptido-lipids in certain bacteria. It has a role as a bacterial metabolite. It is a D-alpha-amino acid and an allothreonine. It is an enantiomer of a L-allothreonine. It is a tautomer of a D-allothreonine zwitterion.

CAS Number24830-94-2
PubChem CID90624
IUPAC Name(2R,3R)-2-amino-3-hydroxybutanoic acid
Molecular FormulaC4H9NO3
Molecular Weight119.12
XLogP-2.9
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity93
SMILES
C[C@H]([C@H](C(=O)O)N)O
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
InChIKey
AYFVYJQAPQTCCC-PWNYCUMCSA-N
Chemical Structure
2D Structure
2D structure of D-Allothreonine
CAS: 24830-94-2
CID: 90624
Formula: C4H9NO3
MW: 119.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight119.12
XLogP3-2.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass119.058243149
Monoisotopic Mass119.058243149
Topological Polar Surface Area83.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity93.3
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes
D-allo-Threonine | 0572-TRC-A548540-5G | Gentaur