​JOE - ≥97% , CAS No.82855-40-1

CAS: 82855-40-1 Cat. No.: J647220 分子式: C₂₃H₁₄Cl₂O₉ 分子量: 505.26

GRADE & PURITY ≥97%

Synonyms

Q27123534 | 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid | CHEBI:52654 | 6-JOE | 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid | HY-D1

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

概要

JOE is a fluorescent dye and can be used as a fluorescent label in DNA sequencing, PCR , and LCR amplifications. JOE possesses an absorbance of 525 nm and an emission of 550 nm.

Form:Solid

Specifications

同義語

Q27123534 | 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid | CHEBI:52654 | 6-JOE | 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid | HY-D1

仕様と純度

≥97%

生化学的・生理学的メカニズム

JOE is a fluorescent dye and can be used as a fluorescent label in DNA sequencing, PCR , and LCR amplifications. JOE possesses an absorbance of 525 nm and an emission of 550 nm.

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528768910

カノニカル・スマイル

COC1=C(C(=C2C(=C1)C3(C4=CC(=C(C(=C4O2)Cl)O)OC)C5=C(C=CC(=C5)C(=O)O)C(=O)O3)Cl)O

IUPAC Name

4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid

InChIKey

IDLISIVVYLGCKO-UHFFFAOYSA-N

INCHI

1S/C23H14Cl2O9/c1-31-13-6-11-19(15(24)17(13)26)33-20-12(7-14(32-2)18(27)16(20)25)23(11)10-5-8(21(28)29)3-4-9(10)22(30)34-23/h3-7,26-27H,1-2H3,(H,28,29)

異性体SMILES

COC1=C(C(=C2C(=C1)C3(C4=CC(=C(C(=C4O2)Cl)O)OC)C5=C(C=CC(=C5)C(=O)O)C(=O)O3)Cl)O

分子量

505.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: P-phthalic acid and derivatives Diarylethers Phthalides Benzofuranones Isobenzofurans Anisoles Alkyl aryl ethers Aryl chlorides Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Para_phthalic_acid - Diaryl ether - Isobenzofuranone - Phthalide - Benzofuranone - Isocoumaran - Isobenzofuran - Anisole - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• External Descriptors: xanthenes

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

化学的性質と物理的性質

• 感度: light sensitive
• 分子量: 505.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 504.001 Da
• Monoisotopic Mass: 504.001 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 790.000
• 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