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Chlorin e4 , CAS No.550-52-7

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Item Number
C332689
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C332689-50mg
50mg
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$304.90
C332689-100mg
100mg
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$370.90
C332689-1g
1g
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C332689-10g
10g
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a chlorin derivative used for research

Basic Description

Synonyms (17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18-dihydroporphyrin-2-carboxylic acid
Storage Temp Room temperature
Shipped In Normal
Product Description

Chlorin e4 is a chlorin derivative used for research. Chlorin is the base molecule for chlorophyll, which is the basic photosensitive pigment for chloroplasts, the photosynthesizing organelles in plants, algae, and cyanobacteria.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Tetrapyrroles and derivatives
Subclass Chlorins
Intermediate Tree Nodes Not available
Direct Parent Chlorins
Alternative Parents Pyrrole carboxylic acids  Substituted pyrroles  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Chlorin - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages.
External Descriptors Not available

Names and Identifiers

IUPAC Name (17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
INCHI InChI=1S/C33H36N4O4/c1-8-20-15(3)23-12-25-17(5)22(10-11-29(38)39)31(36-25)19(7)32-30(33(40)41)18(6)26(37-32)14-28-21(9-2)16(4)24(35-28)13-27(20)34-23/h8,12-14,17,22,34-35H,1,9-11H2,2-7H3,(H,38,39)(H,40,41)/t17-,22-/m0/s1
InChIKey AKQWLZLQQVVKCI-JTSKRJEESA-N
Smiles CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)C)CCC(=O)O)C)C)C=C)C
Isomeric SMILES CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)C)CCC(=O)O)C)C)C=C)C
PubChem CID 25060996
Molecular Weight 552.66

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

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

Chemical and Physical Properties

Molecular Weight 552.700 g/mol
XLogP3 5.500
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 552.274 Da
Monoisotopic Mass 552.274 Da
Topological Polar Surface Area 132.000 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 977.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Solution Calculators

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