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

CAS: 38963-94-9 Cat. No.: R423803 분자식: C₁₆H₂₂O₇ 분자량: 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

동의어

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

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528775691
• 정식 스마일: 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
• 이성체 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
• 분자량: 326.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 116-119° C
• 분자량: 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