Siastatin B microbial , CAS No.54795-58-3

CAS: 54795-58-3 Cat. No.: S335410 Fórmula: C₈H₁₄N₂O₅ Peso molecular: 218.21 Número EC: 637-232-2 PubChem CID: 3042898

Synonyms

(3S,4S,5R,6R)-6-acetamido-4,5-dihydroxypiperidine-3-carboxylic acid | starbld0005055 | Siastatin B, lyophilized powder, from microbial | W-203071 | DTXSID90203265 | 3XR | Siastatin B microbial | Siastatin B | SCHEMBL17795814 | 3-Piperidinecarboxylic acid,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(3S,4S,5R,6R)-6-acetamido-4,5-dihydroxypiperidine-3-carboxylic acid | starbld0005055 | Siastatin B, lyophilized powder, from microbial | W-203071 | DTXSID90203265 | 3XR | Siastatin B microbial | Siastatin B | SCHEMBL17795814 | 3-Piperidinecarboxylic acid,

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC1C(C(C(CN1)C(=O)O)O)O
• IUPAC Name: (3S,4S,5R,6R)-6-acetamido-4,5-dihydroxypiperidine-3-carboxylic acid
• InChIKey: DQTKLICLJUKNCG-ZTYPAOSTSA-N
• INCHI: 1S/C8H14N2O5/c1-3(11)10-7-6(13)5(12)4(2-9-7)8(14)15/h4-7,9,12-13H,2H2,1H3,(H,10,11)(H,14,15)/t4-,5-,6-,7+/m0/s1
• Isómeros SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)C(=O)O)O)O
• PubChem CID: 3042898
• Peso molecular: 218.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Beta hydroxy acids and derivatives Acetamides Secondary carboxylic acid amides Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Beta-hydroxy acid - Hydroxy acid - Acetamide - 1,2-diol - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Water
• Peso molecular: 218.210 g/mol
• XLogP3: -4.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 218.09 Da
• Monoisotopic Mass: 218.09 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Preguntas frecuentes

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.

How should this product be stored?

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

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

The CAS Number is 54795-58-3, the molecular formula is C8H14N2O5, and the molecular weight is 218.21 g/mol. InChIKey DQTKLICLJUKNCG-ZTYPAOSTSA-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.