Cas no 28853-00-1 (Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, tripotassium, (SP-4-2)-(9CI))
![Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, tripotassium, (SP-4-2)-(9CI) structure](https://ossimg.kuujia.com/scimg/29000/28853-00-1x500.png)
28853-00-1 structure
Product Name:Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, tripotassium, (SP-4-2)-(9CI)
CAS No:28853-00-1
MF:C33H29CuK3N4O6
MW:758.447472333908
CID:239433
PubChem ID:185659
Update Time:2025-04-19
Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, tripotassium, (SP-4-2)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, tripotassium, (SP-4-2)-(9CI)
- 28853-00-1
- Copper(2+) potassium 3-(2-carboxylatoethyl)-5-(carboxylatomethyl)-17-ethenyl-12-ethyl-2,8,18-trimethyl-2H,3H-porphine-22,23-diide-7-carboxylate (1/3/1)
- Copper, (dihydrogen 21-carboxy-14-ethyl-4,8,18-trimethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-))-, dipotassium salt
- DTXSID40951481
-
- Inchi： 1S/C33H34N4O6.Cu.3K/c1-6-18-10-19-11-27-20(7-2)15(3)23(35-27)13-24-16(4)21(8-9-28(38)39)31(36-24)22(12-29(40)41)32-30(33(42)43)17(5)25(37-32)14-26(18)34-19;;;;/h7,10-11,13-14,16,21H,2,6,8-9,12H2,1,3-5H3,(H5,34,35,36,37,38,39,40,41,42,43);;;;/q;+2;3*+1/p-5
- InChI Key： ANCLEWHDVPMSMQ-UHFFFAOYSA-I
- SMILES： [Cu+2].[K+].[K+].[K+].[O-]C(CCC1C2=C(CC(=O)[O-])C3/C(=C(\[O-])/[O-])/C(C)=C(C=C4C(CC)=CC(C=C5C(C=C)=C(C)C(=CC(C1C)=N2)[N-]5)=N4)N=3)=O |c:5,t:19,26,33|
Computed Properties
- Exact Mass: 759.04523
- Monoisotopic Mass: 757.029426g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 47
- Rotatable Bond Count: 5
- Complexity: 1700
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 165?2
Experimental Properties
- PSA: 176.9
Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, tripotassium, (SP-4-2)-(9CI) Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
28853-00-1 (Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, tripotassium, (SP-4-2)-(9CI)) Related Products
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