Esculin hydrate - ≥98% , CAS No.531-75-9

CAS: 531-75-9 Cat. No.: E107333 Fórmula: C₁₅H₁₆O₉·xH₂O Peso molecular: 340.28(anhydrous) Beilstein Registry Number: 18(3/4)1326 Número EC: 208-517-5

CALIDAD & PUREZA ≥98%

Synonyms

2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy- | AKOS015895151 | SR-01000633930-1 | Z1494829512 | aesculin | CAS-531-75-9 | 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside | C09264 | DTXCID5025318 | 7-hydroxy-6-(((2S,3R,4S,5S,6R)-3,

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Introduction

Esculin hydrate has vasoprotective and venotonic properties.

Application

Esculin hydrate has been used as a component of sporulation-inducing esculin agar. It has also been used for esculin uptake assay.

Especificaciones

Sinónimos

2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy- | AKOS015895151 | SR-01000633930-1 | Z1494829512 | aesculin | CAS-531-75-9 | 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside | C09264 | DTXCID5025318 | 7-hydroxy-6-(((2S,3R,4S,5S,6R)-3,

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Antioxidant and plant coumarin glucoside. Exerts SOD-mimetic effects and reduces superoxide radicals generation. Inhibitory effects of chemically induced oxidative DNA damage and carcinogenesis in vivo.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488195236

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195236

Sonrisas canónicas

C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O

IUPAC Name

7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

InChIKey

XHCADAYNFIFUHF-TVKJYDDYSA-N

INCHI

1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1

Isómeros SMILES

C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

RTECS

DJ3085000

Peso molecular

340.28(anhydrous)

Beilstein

18(3/4)1326

Reaxy-Rn

1297608

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1297608&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Coumarin glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Coumarin glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarin glycosides
• Alternative Parents: Phenolic glycosides 7-hydroxycoumarins Hexoses O-glycosyl compounds 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Heteroaromatic compounds Lactones Secondary alcohols Oxacyclic compounds Acetals Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin o-glycoside - Coumarin-6-o-glycoside - Phenolic glycoside - 7-hydroxycoumarin - Hydroxycoumarin - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Monosaccharide - Oxane - Benzenoid - Heteroaromatic compound - Secondary alcohol - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
• External Descriptors: coumarins

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

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Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: -79 ° (C=2.4, 50% Dioxane)
• Punto de fusión (°C): 203-205°C
• Peso molecular: 340.280 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 340.079 Da
• Monoisotopic Mass: 340.079 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 495.000
• 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