Cas no 13962-39-5 (Magnesate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, trihydrogen, (SP-4-2)-(9CI))
![Magnesate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, trihydrogen, (SP-4-2)-(9CI) structure](https://ossimg.kuujia.com/scimg/14000/13962-39-5x500.png)
13962-39-5 structure
Product Name:Magnesate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, trihydrogen, (SP-4-2)-(9CI)
CAS No:13962-39-5
MF:C34H32MgN4O7
MW:632.945488929749
CID:177377
PubChem ID:5491431
Update Time:2025-04-19
Magnesate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, trihydrogen, (SP-4-2)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Magnesate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, trihydrogen, (SP-4-2)-(9CI)
- CHLOROPHYLLINB
- magnesium,(8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate,hydron
- Magnesate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)- kappaN21,kappaN22,kappaN23,kappaN24)-, trihydrogen, (SP-4-2)-
- magnesium trihydrogen (13E)-3-(2-carboxylatoethyl)-5-(carboxylatomethyl)-17-ethenyl-12-ethyl-2,8,18-trimethyl-13-(oxidomethylidene)-3,13-dihydro-2H-porphin-22-ide-7-carboxylate
- 13962-39-5
- magnesium;(8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate;hydron
-
- Inchi： 1S/C34H34N4O7.Mg/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);/q;+2/p-2
- InChI Key： XYVUTWHYXOKLHS-UHFFFAOYSA-L
- SMILES： [Mg+2].[O-]C(CCC1C2C(CC(=O)[O-])=C3C(C(=O)[O-])=C(C)C(=CC4=C(CC)/C(=C\[O-])/C(C=C5C(C=C)=C(C)C(C=C(C1C)N=2)=N5)=N4)[N-]3)=O.[H+].[H+].[H+] |t:10,18,28,36|
Computed Properties
- Exact Mass: 632.21226
- Monoisotopic Mass: 632.2121411g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 46
- Rotatable Bond Count: 5
- Complexity: 1800
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 182?2
Experimental Properties
- PSA: 194.63
Magnesate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, trihydrogen, (SP-4-2)-(9CI) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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