Darinaparsin - ≥98% , CAS No.69819-86-9

CAS: 69819-86-9 Cat. No.: D1353087 Molecular Weight: 411.31 EC Number: 684-606-6 PubChem CID: 11683005

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[As](C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-dimethylarsanylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: JGDXFQORBMPJGR-YUMQZZPRSA-N
• INCHI: 1S/C12H22AsN3O6S/c1-13(2)23-6-8(11(20)15-5-10(18)19)16-9(17)4-3-7(14)12(21)22/h7-8H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
• Isomeric SMILES: C[As](C)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
• PubChem CID: 11683005
• Molecular Weight: 411.31

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: Gamma-glutamyl peptides Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Cysteine and derivatives L-alpha-amino acids Dicarboxylic acids and derivatives Fatty acids and conjugates N-acyl amines Trivalent organic arsenic compounds Secondary carboxylic acid amides Amino acids Sulfenyl compounds Oxygen-containing organoarsenic compounds Carboxylic acids Organoarsenic sulfides Organic metalloid salts Carbonyl compounds Organic oxides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acid - Fatty acyl - Amino acid or derivatives - Carboxamide group - Amino acid - Trivalent organic arsenic compound - Secondary carboxylic acid amide - Organic metalloid salt - Sulfenyl compound - Carboxylic acid - Oxygen-containing organoarsenic compound - Organoarsenic sulfide - Sulfur-containing organoarsenic compound - Organosulfur compound - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organoarsenic compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Primary amine - Organic oxide - Organooxygen compound - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

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: 411.310 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 411.045 Da
• Monoisotopic Mass: 411.045 Da
• Topological Polar Surface Area: 184.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 449.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

XLogP3