DL-3,4-Dihidroxifenilglicol - ≥95% , CAS No.28822-73-3

CAS: 28822-73-3 Cat. No.: R135061 Peso molecular: 170.16 Número EC: 249-260-9 PubChem CID: 91528

GRADE & PURITY ≥95%

Synonyms

AKOS016843225 | DTXSID20865451 | 1,2-Etanodiol, 1-(3,4-dihidroxifenil)-, (.+/-.)- | FT-0694582 | (3,4-Dihydroxyphenyl)glycol | 2-hydroxy-2-(3,4-dihydroxy)phenylethanol | C05576 | 3,4-DIHYDROXYPHENYLGLYCOL, (+/-)- | dl-3,4-Dihydroxyphenylglycol | MTVWFVD

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

AKOS016843225 | DTXSID20865451 | 1, 2-Etanodiol, 1-(3, 4-dihidroxifenil)-, (.+/-.)- | FT-0694582 | (3, 4-Dihydroxyphenyl)glycol | 2-hydroxy-2-(3, 4-dihydroxy)phenylethanol | C05576 | 3, 4-DIHYDROXYPHENYLGLYCOL, (+/-)- | dl-3, 4-Dihydroxyphenylglycol | MTVWFVD

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

el 4-(1, 2-Dihidroxietil)benceno-1, 2-diol, un metabolito normal de la norepinefrina, está asociado al síndrome de Menkes.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504756070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756070
• Sonrisas canónicas: C1=CC(=C(C=C1C(CO)O)O)O
• IUPAC Name: 4-(1,2-dihydroxyethyl)benzene-1,2-diol
• InChIKey: MTVWFVDWRVYDOR-UHFFFAOYSA-N
• INCHI: 1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2
• Isómeros SMILES: C1=CC(=C(C=C1C(CO)O)O)O
• WGK Alemania: 3
• PubChem CID: 91528
• Peso molecular: 170.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• External Descriptors: a catechol

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: 170.160 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.058 Da
• Monoisotopic Mass: 170.058 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 139.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Referencias

1. Xin Huang, Rui Wang, Yikai Wang, Changbao Chen, Shuying Liu.  (2022)  Investigation on property differences of ginseng and American ginseng by spatial metabolomics of neurochemicals with desorption electrospray ionization mass spectrometry imaging.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:36516905] [10.1016/j.jep.2022.116006]