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H-Thr-Glu-OH

CAT: 0121-4016437.0250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0121-4016437.0250Size:250 mg
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CAS Number
54532-73-9
Specifications
G-4050.0250
Sequence
H-Thr-Glu-OH
Molecular Formula
C₉H₁₆N₂O₆
Molecular Weight
248.24
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Thr-Glu

Thr-Glu is a dipeptide formed from L-threonine and L-glutamic acid residues. It has a role as a metabolite.

CAS Number54532-73-9
PubChem CID7020163
IUPAC Name(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanedioic acid
Molecular FormulaC9H16N2O6
Molecular Weight248.23
XLogP-4.5
Topological Polar Surface Area150
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity306
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)O
InChI
InChI=1S/C9H16N2O6/c1-4(12)7(10)8(15)11-5(9(16)17)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/t4-,5+,7+/m1/s1
InChIKey
BECPPKYKPSRKCP-ZDLURKLDSA-N
Chemical Structure
2D Structure
2D structure of Thr-Glu
CAS: 54532-73-9
CID: 7020163
Formula: C9H16N2O6
MW: 248.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.23
XLogP3-4.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass248.10083623
Monoisotopic Mass248.10083623
Topological Polar Surface Area150 Ų
Heavy Atom Count17
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes