β-Phenylethyl β-D-Glucoside - ≥95% , CAS No.18997-54-1

CAS: 18997-54-1 Cat. No.: P355558 Fórmula: C₁₄H₂₀O₆ Peso molecular: 284.31 Número EC: 803-387-1 PubChem CID: 11289099

GRADE & PURITY ≥95%

Synonyms

ACon1_001188 | (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-phenethoxytetrahydro-2H-pyran-3,4,5-triol | MEGxp0_000929 | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol | SCHEMBL8843011 | 2-phenylethyl-beta-d-glucopyranoside | AKOS027327179

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

ACon1_001188 | (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-phenethoxytetrahydro-2H-pyran-3,4,5-triol | MEGxp0_000929 | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol | SCHEMBL8843011 | 2-phenylethyl-beta-d-glucopyranoside | AKOS027327179

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488197370
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197370
• Sonrisas canónicas: C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
• InChIKey: MLRIJUWUQTVDQE-RKQHYHRCSA-N
• INCHI: 1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1
• Isómeros SMILES: C1=CC=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• PubChem CID: 11289099
• Peso molecular: 284.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Oxanes Benzene and substituted derivatives Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• 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

Objetivos asociados (no humanos)

RAW264.7 (28094 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 115-117° C
• Peso molecular: 284.300 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 284.126 Da
• Monoisotopic Mass: 284.126 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 281.000
• 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