Methyl phaeophorbide

methyl 16-ethenyl-11-ethyl-4-hydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate

CAS: 5594-30-9

Molecular Formula	`C36H38N4O5`
Molecular Weight	606.7 g/mol
LogP	3.1
Topological Polar Surface Area	122.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	606.28424
Heavy Atoms	45
Complexity	1830.0

Chemical Identifiers

CAS Number	5594-30-9
SMILES	`CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)C(=O)OC)O)C)C`
InChIKey	`HUXSMOZWPXDRTN-UHFFFAOYSA-N`

📖 Product Overview

Methyl phaeophorbide (CAS: 5594-30-9) is a chemical compound with molecular formula C36H38N4O5 and molecular weight 606.7 g/mol. Its IUPAC systematic name is methyl 16-ethenyl-11-ethyl-4-hydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate. LogP 3.1 Topological Polar Surface Area 122.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 8 Exact Mass 606.28424 Heavy Atoms 45 Complexity 1830.0 InChI Key: HUXSMOZWPXDRTN-UHFFFAOYSA-N. SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)C(=O)OC)O)C)C.

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