2-(Hidroximetil)antraquinona - ≥96% , CAS No.17241-59-7

CAS: 17241-59-7 Cat. No.: H335787 Fórmula: C₁₅H₁₀O₃ Peso molecular: 238.24

GRADE & PURITY ≥96%

Synonyms

J-010816 | 4-08-00-02607 (Beilstein Handbook Reference) | CCRIS 3522 | MFCD00001236 | 2-(Hydroxymethyl)anthraquinone | HY-N7502 | Oprea1_627861 | 2-(4-AMINOPHENYL)HEXAFLUOROPROPAN-2-OL | 2-Hydroxymethylanthraquinone | 2-Hydroxymethyl-Anthraquinone | Anthr

Storage

Protegido da luz, à temperatura ambiente

Shipped In

Normal

Visão geral

Descrição do produto:

a 2-(hidroximetil)antraquinona é um grupo protetor fotorremovível.

Aplicação do produto:

a 2-(hidroximetil)antraquinona (um grupo protetor foto-removível) foi utilizada para enjaular quimicamente o (Z)-11-hexadecen-1-ol (feromona sexual de Chilo infuscatellus snellen).

Specifications

Sinónimos

J-010816 | 4-08-00-02607 (Beilstein Handbook Reference) | CCRIS 3522 | MFCD00001236 | 2-(Hydroxymethyl)anthraquinone | HY-N7502 | Oprea1_627861 | 2-(4-AMINOPHENYL)HEXAFLUOROPROPAN-2-OL | 2-Hydroxymethylanthraquinone | 2-Hydroxymethyl-Anthraquinone | Anthr

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Protegido da luz, à temperatura ambiente

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 504755855
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755855
• Sorrisos canónicos: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO
• IUPAC Name: 2-(hydroxymethyl)anthracene-9,10-dione
• InChIKey: JYKHAJGLEVKEAA-UHFFFAOYSA-N
• INCHI: 1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2
• SMILES isoméricas: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO
• Peso molecular: 238.24
• Reaxy-Rn: 2120452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2120452&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: Anthraquinone type

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

Alvos associados (não humanos)

Helicobacter pylori (3113 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in CHCL3:MEOH (1:1) (2 %).
• Sensibilidade: Light sensitive
• Ponto de fusão (°C): 192-197° C (lit.)
• Peso molecular: 238.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 238.063 Da
• Monoisotopic Mass: 238.063 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 363.000
• 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