GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

AKOS030243315 | 2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid | DTXSID70492993 | {4-Hydroxy-3-[(~2~H_3_)methyloxy]phenyl}acetic acid | HY-N0384S | Homovanillic Acid-d3 | 2-[4-hydroxy-3-(?H?)methoxyphenyl]acetic acid | NSC 16682-d3 | 4-Hydroxy-3-(m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Homovanillic Acid-d3 is a neuroendocrine tumor marker. A Labelled metabolite of Dihydroxyphenylacetic Acid (DOPAC) by catechol O-methyltransferase.

Specifications

Sinónimos

AKOS030243315 | 2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid | DTXSID70492993 | {4-Hydroxy-3-[(~2~H_3_)methyloxy]phenyl}acetic acid | HY-N0384S | Homovanillic Acid-d3 | 2-[4-hydroxy-3-(?H?)methoxyphenyl]acetic acid | NSC 16682-d3 | 4-Hydroxy-3-(m

Especificaciones y pureza

≥98 atom% D, ≥98%

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.

Pureza

≥98 atom% D, ≥98%

Nombres e identificadores

• Pubchem Sid: 488198050
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198050
• Sonrisas canónicas: COC1=C(C=CC(=C1)CC(=O)O)O
• IUPAC Name: 2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid
• InChIKey: QRMZSPFSDQBLIX-FIBGUPNXSA-N
• INCHI: 1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i1D3
• Isómeros SMILES: [2H]C([2H])([2H])OC1=C(C=CC(=C1)CC(=O)O)O
• Peso molecular: 185.19
• Reaxy-Rn: 2213447
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213447&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 135-137° C
• Peso molecular: 185.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 185.077 Da
• Monoisotopic Mass: 185.077 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 3
• 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