Hamamelitannin - ≥98% , CAS No.469-32-9

CAS: 469-32-9 Cat. No.: H355091 분자식: C₂₀H₂₀O₁₄ 분자량: 484.36 EC 번호: 207-416-3

GRADE & PURITY ≥98%

Synonyms

Hamamelitannin | hamamelitanin | [(2S,3S,4S)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate | Q15632711 | Hamamelofuranose2,5-digallate | MFCD33023081 | ((2S,3S,4S)-3,4,5-trihydroxytetrahydrofuran-2,4-di

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

개요

Hamamelitannin a polyphenol extracted from the bark of Hamamelis virginiana, has cytotoxic and antibiofilm activities，and is a quorum-sensing (QS) inhibitor.It increases antibiotic susceptibility of staphylococcus aureus biofilms by affecting peptidoglycan biosynthesis and eDNA release.It also has a high protective activity on cell damage induced by peroxides.

Specifications

동의어

Hamamelitannin | hamamelitanin | [(2S,3S,4S)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate | Q15632711 | Hamamelofuranose2,5-digallate | MFCD33023081 | ((2S,3S,4S)-3,4,5-trihydroxytetrahydrofuran-2,4-di

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥98%

제품 특성

• pKa: pKa: 8.42 (Predicted)

이름과 식별자

• Pubchem Sid: 504770383
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770383
• 정식 스마일: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O
• IUPAC Name: [(2S,3S,4S)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
• InChIKey: FEPAFOYQTIEEIS-WZKFEGCESA-N
• INCHI: 1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1
• 이성체 SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]2[C@@H]([C@](C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O
• WGK 독일: 3
• 분자량: 484.36
• Reaxy-Rn: 25442642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25442642&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives
            • Level7 Galloyl esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Gallic acid and derivatives
• Direct Parent: Galloyl esters
• Alternative Parents: p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Pentoses Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Tertiary alcohols Oxolanes 1,2-diols Secondary alcohols Carboxylic acid esters Hemiacetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Galloyl ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Pentose monosaccharide - Benzenetriol - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monosaccharide - Oxolane - Tertiary alcohol - Hemiacetal - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.
• 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

• 용해성: Soluble in methanol, acetone, and dioxane. Insoluble in water.
• 굴절률: n20D1.75 (Predicted)
• 끓는점(°C): 947.5° C at 760 mmHg
• 녹는점(°C): 130-145° C
• 분자량: 484.400 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 484.085 Da
• Monoisotopic Mass: 484.085 Da
• Topological Polar Surface Area: 244.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 710.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1