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Meso-tetra(4-carboxyphenyl)porphine

CAS No.:
14609-54-2
Catalog Number:
AG006U0O
Molecular Formula:
C48H30N4O8
Molecular Weight:
790.7738
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$60
- +
1g
95%
In Stock USA
United States
$182
- +
5g
95%
In Stock USA
United States
$725
- +
10g
95%
In Stock USA
United States
$1413
- +
Product Description
Catalog Number:
AG006U0O
Chemical Name:
Meso-tetra(4-carboxyphenyl)porphine
CAS Number:
14609-54-2
Molecular Formula:
C48H30N4O8
Molecular Weight:
790.7738
MDL Number:
MFCD00064860
IUPAC Name:
4-[10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
InChI:
InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChI Key:
HHDUMDVQUCBCEY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)C(=O)O)C=C3)c1ccc(cc1)C(=O)O)[nH]2)c1ccc(cc1)C(=O)O
UNII:
E9892W6IMC
Properties
Complexity:
1310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
790.206g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
790.788g/mol
Monoisotopic Mass:
790.206g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5  
Literature
Title Journal
Binding of multivalent anionic porphyrins to V3 loop fragments of an HIV-1 envelope and their antiviral activity. Chemistry, an Asian journal 20100401
A novel class of meso-tetrakis-porphyrin derivatives exhibits potent activities against hepatitis C virus genotype 1b replicons in vitro. Antimicrobial agents and chemotherapy 20100101
A screening assay for antiviral compounds targeted to the HIV-1 gp41 core structure using a conformation-specific monoclonal antibody. Journal of virological methods 19990601
Three-dimensional structure-activity analysis of a series of porphyrin derivatives with anti-HIV-1 activity targeted to the V3 loop of the gp120 envelope glycoprotein of the human immunodeficiency virus type 1. Journal of medicinal chemistry 19940415
Properties