Raspberry ketone glucoside - 10mM in DMSO , CAS No.38963-94-9

CAS: 38963-94-9 Cat. No.: R423803 分子式: C₁₆H₂₂O₇ 分子量: 326.34 PubChem CID: 5320521

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528775691

カノニカル・スマイル

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

異性体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

分子量

326.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 116-119° C
• 分子量: 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