FAM alkyne, 6-isomer - ≥96% , CAS No.478801-49-9

CAS: 478801-49-9 Cat. No.: F596068 Peso molecular: 413.38

GRADE & PURITY ≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Extinction Coefficient Excitation Maximum: 80000;Fluorescence Quantum Yield: 0.93

FAM (fluorescein) alkyne is a high purity (96%) 6-isomer with significant aqueous solubility. Alkyne enables copper-catalyzed Click chemistry.

Specifications

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Sonrisas canónicas: C#CCNC(=O)C1=CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
• IUPAC Name: 3',6'-dihydroxy-1-oxo-N-prop-2-ynylspiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
• InChIKey: OCTDWUOGUCSHAK-UHFFFAOYSA-N
• INCHI: 1S/C24H15NO6/c1-2-9-25-22(28)13-3-6-16-19(10-13)24(31-23(16)29)17-7-4-14(26)11-20(17)30-21-12-15(27)5-8-18(21)24/h1,3-8,10-12,26-27H,9H2,(H,25,28)
• Isómeros SMILES: C#CCNC(=O)C1=CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
• Peso molecular: 413.38
• Reaxy-Rn: 22650391
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22650391&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Phthalides Benzofuranones Isobenzofurans 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Lactones Carboxylic acid esters Oxacyclic compounds Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Isobenzofuran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Acetylide - Ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: 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: 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: Solubility in DMSO, DMF, DCM
• Peso molecular: 413.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 413.09 Da
• Monoisotopic Mass: 413.09 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 762.000
• 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