Etioporphyrin III - ≥95% , CAS No.26608-34-4

CAS: 26608-34-4 Cat. No.: E281506 Formule: C₃₂H₃₈N₄ Poids moléculaire: 478.68 PubChem CID: 141310

GRADE & PURITY ≥95%

Synonyms

FT-0769399 | 2,7,12,18-tetramethyl-3,8,13,17-tetraethyl-21h,23h-porphine | YWM7PVC95X | SCHEMBL200421 | ETIOPORPHYRINIII | 2,7,12,18-Tetraethyl-3,8,13,17-tetramethyl-21H,23H-porphine | Atioporphyrin III | UNII-YWM7PVC95X | Etioporphyrin cento | Etioporph

Storage

Room temperature

Specifications

Synonymes

FT-0769399 | 2,7,12,18-tetramethyl-3,8,13,17-tetraethyl-21h,23h-porphine | YWM7PVC95X | SCHEMBL200421 | ETIOPORPHYRINIII | 2,7,12,18-Tetraethyl-3,8,13,17-tetramethyl-21H,23H-porphine | Atioporphyrin III | UNII-YWM7PVC95X | Etioporphyrin cento | Etioporph

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4C)CC)C(=C3C)CC)C

IUPAC Name

3,7,12,17-tetraethyl-2,8,13,18-tetramethyl-21,22-dihydroporphyrin

InChIKey

SOZGZCJUYXLGOI-UHFFFAOYSA-N

INCHI

1S/C32H38N4/c1-9-21-17(5)25-13-26-18(6)23(11-3)31(34-26)16-32-24(12-4)20(8)28(36-32)15-30-22(10-2)19(7)27(35-30)14-29(21)33-25/h13-16,34,36H,9-12H2,1-8H3

Isomères SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4C)CC)C(=C3C)CC)C

PubChem CID

141310

Poids moléculaire

478.68

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 478.700 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 478.31 Da
• Monoisotopic Mass: 478.31 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 727.000
• 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