Goma garrofín de semillas de Ceratonia siliqua , CAS No.9000-40-2

CAS: 9000-40-2 Cat. No.: L118711 Número EC: 232-541-5

Synonyms

Galactomannan polysaccharide | Gum, locust bean | ethyl (2E)-2-chloro-2-(phenylhydrazinylidene)acetate | Manno-galactan (main component) | ethyl (2E)-chloro(phenylhydrazono)acetate

Storage

Room temperature

Shipped In

Normal

Descripción general

Se cree que es un polímero de cadena recta de manosa con una rama de galactosa cada cuatro manosas y un peso molecular de aproximadamente 310 kDa.

Specifications

Sinónimos

Galactomannan polysaccharide | Gum, locust bean | ethyl (2E)-2-chloro-2-(phenylhydrazinylidene)acetate | Manno-galactan (main component) | ethyl (2E)-chloro(phenylhydrazono)acetate

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504763937
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763937
• Sonrisas canónicas: CCOC(=O)C(=NNC1=CC=CC=C1)Cl
• IUPAC Name: ethyl (2Z)-2-chloro-2-(phenylhydrazinylidene)acetate
• InChIKey: LZCJYKSOIZQABU-LCYFTJDESA-N
• INCHI: 1S/C10H11ClN2O2/c1-2-15-10(14)9(11)13-12-8-6-4-3-5-7-8/h3-7,12H,2H2,1H3/b13-9-
• Isómeros SMILES: CCOC(=O)/C(=N/NC1=CC=CC=C1)/Cl
• WGK Alemania: 2
• Reaxy-Rn: 519745
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=519745&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrazones Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Hydrazone - Monocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl 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

Propiedades químicas y físicas

• Peso molecular: 226.660 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 226.051 Da
• Monoisotopic Mass: 226.051 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 238.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

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