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H-Thr-Gln-OH

CAT: 0572-TRC-T430575-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T430575-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96337-79-0
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O
Molecular Formula
C9H17N3O5
Molecular Weight
247.25
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Thr-Gln

Thr-Gln is a dipeptide formed from L-threonine and L-glutamine residues. It has a role as a metabolite.

CAS Number96337-79-0
PubChem CID7016085
IUPAC Name(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC9H17N3O5
Molecular Weight247.25
XLogP-5.2
Topological Polar Surface Area156
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity307
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N)O
InChI
InChI=1S/C9H17N3O5/c1-4(13)7(11)8(15)12-5(9(16)17)2-3-6(10)14/h4-5,7,13H,2-3,11H2,1H3,(H2,10,14)(H,12,15)(H,16,17)/t4-,5+,7+/m1/s1
InChIKey
BWUHENPAEMNGQJ-ZDLURKLDSA-N
Chemical Structure
2D Structure
2D structure of Thr-Gln
CAS: 96337-79-0
CID: 7016085
Formula: C9H17N3O5
MW: 247.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.25
XLogP3-5.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass247.11682065
Monoisotopic Mass247.11682065
Topological Polar Surface Area156 Ų
Heavy Atom Count17
Formal Charge0
Complexity307
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

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