Tri(8-quinolyl) phosphate - ≥95% , CAS No.52429-99-9

CAS: 52429-99-9 Cat. No.: T475727 Molecular Weight: 479.42 PubChem CID: 103632

GRADE & PURITY ≥95%

Synonyms

FT-0752816 | Tri(8-quinolyl) phosphate, purum, >=95.0% (N) | Triquinolin-8-yl phosphate | Triquinol-8-yl phosphate | DTXSID20966851 | Tri(8-quinolyl) phosphate | Phosphoric acid tris(8-quinolyl ester) | tri(8-quinolyl)-phosphate | EINECS 257-908-7 | Tri(8

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

FT-0752816 | Tri(8-quinolyl) phosphate, purum, >=95.0% (N) | Triquinolin-8-yl phosphate | Triquinol-8-yl phosphate | DTXSID20966851 | Tri(8-quinolyl) phosphate | Phosphoric acid tris(8-quinolyl ester) | tri(8-quinolyl)-phosphate | EINECS 257-908-7 | Tri(8

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Note

Specific phosphorylating agent. Blocking of the 5-OH groups in nucleosides

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C(=C1)OP(=O)(OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2
• IUPAC Name: triquinolin-8-yl phosphate
• InChIKey: RFZXFOYQOFYOKR-UHFFFAOYSA-N
• INCHI: 1S/C27H18N3O4P/c31-35(32-22-13-1-7-19-10-4-16-28-25(19)22,33-23-14-2-8-20-11-5-17-29-26(20)23)34-24-15-3-9-21-12-6-18-30-27(21)24/h1-18H
• Isomeric SMILES: C1=CC2=C(C(=C1)OP(=O)(OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2
• WGK Germany: 3
• PubChem CID: 103632
• Molecular Weight: 479.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphotriesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates
• Direct Parent: Aryl phosphotriesters
• Alternative Parents: Quinolines and derivatives Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl phosphotriester - Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three positions.
• 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 193-197° C
• Molecular Weight: 479.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 479.103 Da
• Monoisotopic Mass: 479.103 Da
• Topological Polar Surface Area: 83.400 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 661.000
• 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