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5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin - >95.0%(T), high purity , CAS No.127812-08-2

COA

Grade & Purity:

≥95%

Cas Number: 127812-08-2
Molecular Weight: 910.89
MDL number: MFCD00191499
PubChem CID: 16133335

In stock

Item Number

T162690

Grouped product items
SKU	Size	Availability	Price	Qty
T162690-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90

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Material synthetic block (276) Nitrogen donating ligand (229)

Basic Description

Synonyms	AKOS015836292 \| 5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin \| D95243 \| 2-[4-[10,15,20-tris[4-(carboxymethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]acetic acid \| T1495 \| YSCH0240 \| ACetic acid, 2,2',2'',2'''-[21H,23H-porphine-5,10,15,20-te
Specifications & Purity	≥95%
Storage Temp	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrapyrroles and derivatives
    - Subclass Porphyrins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrapyrroles and derivatives
Subclass	Porphyrins
Intermediate Tree Nodes	Not available
Direct Parent	Porphyrins
Alternative Parents	Tetracarboxylic acids and derivatives Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Porphyrin - Tetracarboxylic acid or derivatives - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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
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

Names and Identifiers

IUPAC Name	2-[4-[10,15,20-tris[4-(carboxymethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]acetic acid
INCHI	InChI=1S/C52H38N4O12/c57-45(58)25-65-33-9-1-29(2-10-33)49-37-17-19-39(53-37)50(30-3-11-34(12-4-30)66-26-46(59)60)41-21-23-43(55-41)52(32-7-15-36(16-8-32)68-28-48(63)64)44-24-22-42(56-44)51(40-20-18-38(49)54-40)31-5-13-35(14-6-31)67-27-47(61)62/h1-24,53,56H,25-28H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)
InChIKey	GIHZJFIAJYZVFA-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC(=O)O)C8=CC=C(C=C8)OCC(=O)O)C=C4)C9=CC=C(C=C9)OCC(=O)O)N3)OCC(=O)O
Isomeric SMILES	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC(=O)O)C8=CC=C(C=C8)OCC(=O)O)C=C4)C9=CC=C(C=C9)OCC(=O)O)N3)OCC(=O)O
PubChem CID	16133335
Molecular Weight	910.89
Reaxy-Rn	4227522

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	910.900 g/mol
XLogP3	8.700
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	16
Exact Mass	910.249 Da
Monoisotopic Mass	910.249 Da
Topological Polar Surface Area	243.000 Å²
Heavy Atom Count	68
Formal Charge	0
Complexity	1440.000
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

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