Phenyl hydrogen sulfate - Moligand™,≥99% , CAS No.937-34-8

CAS: 937-34-8 Cat. No.: P1368592 PubChem CID: 74426

GRADE & PURITY Moligand™, ≥99%

Synonyms

Phenyl sulfate | Phenyl sulfate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Phenyl sulfate is a gut microbiota-derived metabolite. Phenyl sulfate induces albuminuria and podocyte damage in experimental models of diabetes. Phenyl sulfate can be used as a disease marker and future therapeutic target in diabetic kidney disease.

Specifications

Sinónimos

Phenyl sulfate | Phenyl sulfate

Especificaciones y pureza

Moligand™, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)OS(=O)(=O)O
• IUPAC Name: phenyl hydrogen sulfate
• InChIKey: CTYRPMDGLDAWRQ-UHFFFAOYSA-N
• INCHI: 1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
• Isómeros SMILES: C1=CC=C(C=C1)OS(=O)(=O)O
• CAS alternativo: 937-34-8,1733-88-6 (potassium salt)
• PubChem CID: 74426
• Términos de entrada MeSH: phenylsulfate;phenylsulfate, potassium salt;phenylsulfate, sodium salt

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives
      • Subclass Arylsulfates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Arylsulfates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylsulfates
• Alternative Parents: Phenoxy compounds Sulfuric acid monoesters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylsulfate - Phenoxy compound - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group.
• External Descriptors: aryl sulfate

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

Propiedades químicas y físicas

• Peso molecular: 174.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.999 Da
• Monoisotopic Mass: 173.999 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 197.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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