FAM alkyne 6-isomer - ≥95% , CAS No.478801-49-9

CAS: 478801-49-9 Cat. No.: F171441 Molecular Weight: 413.38

GRADE & PURITY ≥95%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

Alkyne derivative of FAM (fluorescein) fluorophore for Click Chemistry

Specifications

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504772663
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772663
• Canonical Smiles: 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)
• Isomeric SMILES: C#CCNC(=O)C1=CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
• Molecular Weight: 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
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: good in aqueous buffers (pH > 8), alcohols, DMSO, DMF
• Sensitivity: Light sensitive
• Molecular Weight: 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