p-Cresol glucuronide - ≥97% , CAS No.17680-99-8

CAS: 17680-99-8 Cat. No.: P1043401 분자식: C₁₃H₁₆O₇ 분자량: 284.27

GRADE & PURITY ≥97%

Synonyms

(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Methylphenoxy)Tetrahydropyran-2-Carboxylic Acid | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Methylphenoxy)-2-Tetrahydropyrancarboxylic Acid | Beta-D-Glucopyranosiduronic Acid, 4-Methylphenyl | p-Cresol glucuronide | P-T

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Methylphenoxy)Tetrahydropyran-2-Carboxylic Acid | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Methylphenoxy)-2-Tetrahydropyrancarboxylic Acid | Beta-D-Glucopyranosiduronic Acid, 4-Methylphenyl | p-Cresol glucuronide | P-T

사양 및 순도

≥97%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

• 정식 스마일: CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid
• InChIKey: JPAUCQAJHLSMQW-XPORZQOISA-N
• INCHI: 1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1
• 분자량: 284.27

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: O-glucuronides O-glycosyl compounds Phenoxy compounds Phenol ethers Toluenes Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Secondary alcohols Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Toluene - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Benzenoid - Oxane - Pyran - Secondary alcohol - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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

화학 및 물리적 특성

• 감도: Moisture and light sensitive
• 분자량: 284.260 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 284.09 Da
• Monoisotopic Mass: 284.09 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 340.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17680-99-8, the molecular formula is C13H16O7, and the molecular weight is 284.27 g/mol. InChIKey JPAUCQAJHLSMQW-XPORZQOISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.