Cas no 28849-57-2 (Dicopper;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate)
![Dicopper;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate structure](https://ossimg.kuujia.com/scimg/29000/28849-57-2x500.png)
28849-57-2 structure
Product Name:Dicopper;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
CAS No:28849-57-2
MF:C33H28Cu2N4O5
MW:687.691230773926
CID:239435
Update Time:2023-08-02
Dicopper;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Copper, [m-[21-carboxy-9-ethenyl-14-ethyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-N21,N22,N23,N24:O20,O21]]di-(9CI)
- Copper chlorphyllin
- Dicopper;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-4-oxido-23,24,25-triaza-7-az
- Dicopper;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
-
- Inchi： 1S/C33H32N4O5.2Cu/c1-6-17-10-18-11-25-19(7-2)14(3)21(35-25)12-22-15(4)20(8-9-26(38)39)30(36-22)28-29(33(41)42)32(40)27-16(5)23(37-31(27)28)13-24(17)34-18;;/h7,10-13,15,20,29H,2,6,8-9H2,1,3-5H3,(H4,34,35,36,37,38,39,40,41,42);;/q;2*+2/p-4
- InChI Key： MVTQTIMMYUZWTL-UHFFFAOYSA-J
- SMILES： [Cu+2].[Cu+2].[O-]C1=C2C(C)=C3C=C4C(CC)=CC(C=C5C(C=C)=C(C)C(C=C6C(C)C(CCC(=O)[O-])C(C(=C2[N-]3)C1C(=O)[O-])=N6)=N5)=N4 |t:6,13,21|
Computed Properties
- Exact Mass: 686.065
- Monoisotopic Mass: 686.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 44
- Rotatable Bond Count: 4
- Complexity: 1740
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 141
Experimental Properties
- Boiling Point: 822.3°C at 760 mmHg
- Flash Point: 451.1°C
Dicopper;22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-17,21,26-trimethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate Related Literature
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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