Mesoporphyrin IX dihydrochloride - ≥98% , CAS No.68938-72-7

CAS: 68938-72-7 Cat. No.: M281538 Peso molecular: 639.61

GRADE & PURITY ≥98%

Synonyms

21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dihydrochloride | 7,12-Diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid dihydrochloride | EINECS 273-141-0 | Mesoporphyrin IX dihydrochloride | 3-[18-(2-carbo

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

21H, 23H-Porphine-2, 18-dipropanoic acid, 7, 12-diethyl-3, 8, 13, 17-tetramethyl-, dihydrochloride | 7, 12-Diethyl-3, 8, 13, 17-tetramethyl-21H, 23H-porphine-2, 18-dipropionic acid dihydrochloride | EINECS 273-141-0 | Mesoporphyrin IX dihydrochloride | 3-[18-(2-carbo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: Cl.Cl.CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3CC
• IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
• InChIKey: YUIUEEROGVTICN-UHFFFAOYSA-N
• INCHI: 1S/C34H38N4O4.2ClH/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42);2*1H
• Isómeros SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C.Cl.Cl
• Peso molecular: 639.61

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: Substituted pyrroles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Substituted pyrrole - Dicarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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: 639.600 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 638.243 Da
• Monoisotopic Mass: 638.243 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 949.000
• 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: 3

XLogP3

Referencias

1. Yi-Fang Lu, Song-Hai Wu, Cong Wang, Yong Liu, Fu-Gen Huang, Bao-Dong Song, Xu Han.  (2023)  Chemical and physical properties of low-molecular-weight poly(2,6-dimethyl-1,4-phenylene oxide) (LMW-PPO) synthesized by peroxydisulfate and metal/non-metal catalysts.  Polymer Chemistry,  14  (16): (1933-1944).  [PMID:] [10.1039/D2PY01614A]