4′-Deoxyphlorizin - ≥97% , CAS No.4319-68-0

CAS: 4319-68-0 Cat. No.: D345497 Summenformel: C₂₁H₂₄O₉ Molekulargewicht: 420.41

GRADE & PURITY ≥97%

Synonyms

1-[2-(β-D-Glucopyranosyloxy)-6-hydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

4'-Deoxyphlorizin is an inhibitor of the glucose transport system.

Specifications

Synonyme

1-[2-(β-D-Glucopyranosyloxy)-6-hydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504763008
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763008
• Kanonisches Lächeln: C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)CCC3=CC=C(C=C3)O)O
• IUPAC Name: 3-(4-hydroxyphenyl)-1-[2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
• InChIKey: KOTXSQPZNZHNFC-UHFFFAOYSA-N
• INCHI: 1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-3-1-2-13(24)17(15)14(25)9-6-11-4-7-12(23)8-5-11/h1-5,7-8,16,18-24,26-28H,6,9-10H2
• Isomere SMILES: C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)CCC3=CC=C(C=C3)O)O
• Molekulargewicht: 420.41
• Reaxy-Rn: 25464231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25464231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Flavonoids
      • Subclass Flavonoid glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonoid O-glycosides
• Alternative Parents: 2'-Hydroxy-dihydrochalcones Cinnamylphenols Phenolic glycosides Alkyl-phenylketones Hexoses Butyrophenones O-glycosyl compounds Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Vinylogous acids Secondary alcohols Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Aldehydes Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Flavonoid o-glycoside - 2'-hydroxy-dihydrochalcone - Linear 1,3-diarylpropanoid - Cinnamylphenol - Phenolic glycoside - Alkyl-phenylketone - Hexose monosaccharide - Butyrophenone - Glycosyl compound - O-glycosyl compound - Phenylketone - Benzoyl - Phenol ether - Aryl alkyl ketone - Aryl ketone - Phenoxy compound - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Secondary alcohol - Ketone - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
• 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

• Löslichkeit: Soluble in water (hot), and methanol.
• Brechungsindex: n20D1.67 (Predicted)
• Siedepunkt (°C): 725.34° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 134-136° C
• Molekulargewicht: 420.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 420.142 Da
• Monoisotopic Mass: 420.142 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 551.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1