Phaseoloidin - ≥98% , CAS No.118555-82-1

CAS: 118555-82-1 Cat. No.: P412861 Fórmula: C₁₄H₁₈O₉ Peso molecular: 330.29 PubChem CID: 14104237

GRAU & PUREZA ≥98%

Synonyms

AKOS040758809 | MS-24951 | HY-N7400 | PHASEOLOIDIN | s3240 | [2-(beta-D-Glucopyranosyloxy)-5-hydroxyphenyl]acetic acid | AC-31927 | E80645 | 2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid | DTXSID7013478

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Phaseoloidin Phaseoloidin, a homogentisic acid glucoside from Nicotiana attenuata trichomes, contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin has anti-complement effects.

Especificações

Sinónimos

AKOS040758809 | MS-24951 | HY-N7400 | PHASEOLOIDIN | s3240 | [2-(beta-D-Glucopyranosyloxy)-5-hydroxyphenyl]acetic acid | AC-31927 | E80645 | 2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid | DTXSID7013478

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Phaseoloidin, a homogentisic acid glucoside from Nicotiana attenuata trichomes, contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin has anti-complement effects.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

ALogP

-0.92

Contagem HBD

5

Ligação rotativa

5

Nomes e identificadores

Pubchem Sid

504767572

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767572

Sorrisos canónicos

C1=CC(=C(C=C1O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O

IUPAC Name

2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid

InChIKey

MVFYXXNAFZRZAM-RGCYKPLRSA-N

INCHI

1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1

SMILES isoméricas

C1=CC(=C(C=C1O)CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

PubChem CID

14104237

Peso molecular

330.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Hexoses O-glycosyl compounds 4-alkoxyphenols Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Oxanes Secondary alcohols Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Primary alcohols Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - 4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Primary alcohol - Aromatic heteromonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 100 mg/mL (302.76 mM)
• Sensibilidade: light sensitive
• DMSO (mg/mL) Solubilidade máxima: 100
• DMSO (mM) Solubilidade máxima: 302.764237488268
• Água (mg/mL) Solubilidade máxima: -1
• Peso molecular: 330.290 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 330.095 Da
• Monoisotopic Mass: 330.095 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 404.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 118555-82-1, the molecular formula is C14H18O9, and the molecular weight is 330.29 g/mol. InChIKey MVFYXXNAFZRZAM-RGCYKPLRSA-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.