Raspberry ketone glucoside - ≥98% , CAS No.38963-94-9

CAS: 38963-94-9 Cat. No.: R338706 Formula: C₁₆H₂₂O₇ Molecular Weight: 326.34 PubChem CID: 5320521

GRADE & PURITY ≥98%

Synonyms

2-Butanone, 4-(4-(beta-d-glucopyranosyloxy)phenyl)- | 2-Butanone, 4-[4-(b-D-glucopyranosyloxy)phenyl]- | Raspberry ketone beta-d-glucoside | AKOS022174882 | Raspberry ketone glucoside | BS-52006 | Raspberryketone glucoside | A873739 | AS-15354 | DTXSID801

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Butanone, 4-(4-(beta-d-glucopyranosyloxy)phenyl)- | 2-Butanone, 4-[4-(b-D-glucopyranosyloxy)phenyl]- | Raspberry ketone beta-d-glucoside | AKOS022174882 | Raspberry ketone glucoside | BS-52006 | Raspberryketone glucoside | A873739 | AS-15354 | DTXSID801

Specifications & Purity

≥98%

Storage

Store at -20°C,Argon charged

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

• Pubchem Sid: 508816565
• Canonical Smiles: CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: 4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
• InChIKey: IDONYWHRKBUDOR-IBEHDNSVSA-N
• INCHI: 1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
• Isomeric SMILES: CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• PubChem CID: 5320521
• Molecular Weight: 326.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Hexoses O-glycosyl compounds Phenoxy compounds Phenol ethers Oxanes Ketones Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives Primary alcohols Aldehydes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Hexose monosaccharide - O-glycosyl compound - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Secondary alcohol - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Carbonyl group - Hydrocarbon derivative - Alcohol - Aldehyde - Primary alcohol - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Sensitivity: Hygroscopic
• Melt Point(°C): 116-119° C
• Molecular Weight: 326.340 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 326.137 Da
• Monoisotopic Mass: 326.137 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 381.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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