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

CAS: 69819-86-9 Cat. No.: D1353087 Summenformel: C₁₂H₂₂AsN₃O₆S Molekulargewicht: 411.31 EG-Nummer: 684-606-6 PubChem CID: 11683005

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: C[As](C)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
• PubChem CID: 11683005
• Molekulargewicht: 411.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Peptides
          • Ebene6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 69819-86-9, the molecular formula is C12H22AsN3O6S, and the molecular weight is 411.31 g/mol. InChIKey JGDXFQORBMPJGR-YUMQZZPRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.