Vanadyl meso-tetraphenylporphine - ≥97%(HPLC) , CAS No.14705-63-6

CAS: 14705-63-6 Cat. No.: V289933 Peso molecular: 679.67 PubChem CID: 2733357

GRADE & PURITY ≥97%(HPLC)

Synonyms

Oxo[5,10,15,20-Tetraphenylporphyrinato(2-)-kappa2N21,N23]Vanadium | 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide | MFCD00012154 | Oxo[5,10,15,20-tetraphenylporphinato(2-)]vanadium | Vanadium(IV) Oxide Meso-Tetraphenylporphine | 5,10,15,20-Te

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Oxo[5, 10, 15, 20-Tetraphenylporphyrinato(2-)-kappa2N21, N23]Vanadium | 5, 10, 15, 20-Tetraphenyl-21H, 23H-porphine vanadium(IV) oxide | MFCD00012154 | Oxo[5, 10, 15, 20-tetraphenylporphinato(2-)]vanadium | Vanadium(IV) Oxide Meso-Tetraphenylporphine | 5, 10, 15, 20-Te

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488192389
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192389
• Sonrisas canónicas: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O=[V+2]
• IUPAC Name: oxovanadium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
• InChIKey: WDCQRRQLLCXEFB-UHFFFAOYSA-N
• INCHI: 1S/C44H28N4.O.V/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;;/q-2;;+2
• Isómeros SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O=[V+2]
• PubChem CID: 2733357
• Peso molecular: 679.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrapyrroles and derivatives
      • Subclass Porphyrins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Organic transition metal salt - Azacycle - Organic salt - Organic oxide - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
• 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

• Peso molecular: 679.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 679.17 Da
• Monoisotopic Mass: 679.17 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1360.000
• 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: 2

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