H-Thr-ser-OH - ≥95% , CAS No.61043-86-5

CAS: 61043-86-5 Cat. No.: H1329202 Molecular Weight: 206.2 PubChem CID: 7016065

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C(C(=O)NC(CO)C(=O)O)N)O
• IUPAC Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid
• InChIKey: GXDLGHLJTHMDII-WISUUJSJSA-N
• INCHI: 1S/C7H14N2O5/c1-3(11)5(8)6(12)9-4(2-10)7(13)14/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)O)N)O
• Alternate CAS: 61043-86-5
• PubChem CID: 7016065
• Molecular Weight: 206.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Beta hydroxy acids and derivatives N-acyl amines Secondary carboxylic acid amides Amino acids Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - Beta-hydroxy acid - Fatty amide - Hydroxy acid - N-acyl-amine - Fatty acyl - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic salt - Primary aliphatic amine - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: dipeptide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 206.200 g/mol
• XLogP3: -4.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 206.09 Da
• Monoisotopic Mass: 206.09 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1