Cas no 14023-16-6 (Ferrate(2-),[7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-4-2)-(9CI))

Ferrate(2-),[7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-4-2)-(9CI) structure
14023-16-6 structure
Product Name:Ferrate(2-),[7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-4-2)-(9CI)
CAS No:14023-16-6
MF:C33H30FeN4O5
MW:618.460109233856
CID:155837
PubChem ID:5748331
Update Time:2025-04-19

Ferrate(2-),[7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-4-2)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Ferrate(2-),[7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-4-2)-(9CI)
    • 2-formyl-4-vinyldeuteroheme IX
    • 3-[(8E)-18-(2-carboxylatoethyl)-13-ethenyl-3,7,12,17-tetramethyl-8-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate,hydron,iron(2+)
    • Ferrate(2-),[7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrog
    • Ferrate(2-), (7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-
    • iron(2+) 2,18-bis(2-carboxyethyl)-13-ethenyl-8-formyl-3,7,12,17-tetramethylporphine-21,23-diide
    • 14023-16-6
    • 3-[(8E)-18-(2-carboxylatoethyl)-13-ethenyl-3,7,12,17-tetramethyl-8-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate;hydron;iron(2+)
    • 3-[18-(2-carboxyethyl)-13-ethenyl-8-formyl-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)
    • Inchi： 1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26;/h6,11-15H,1,7-10H2,2-5H3,(H4,34,35,36,37,38,39,40,41,42);/q;+2/p-2/b24-11-,25-11-,26-13-,27-12-,28-12-,29-14-,30-14-,31-13-;
    • InChI Key： DQEQQOZHKXGGJW-HLHPXMICSA-L
    • SMILES： [Fe+2].[O-]C(CCC1=C(C)C2=CC3=C(C)/C(=C\[O-])/C(C=C4C(C)=C(C=C)C(C=C5C(C)=C(CCC(=O)[O-])C(C=C1[N-]2)=N5)=N4)=N3)=O.[H+].[H+] |t:7,16,24,35|

Computed Properties

  • Exact Mass: 618.156556g/mol
  • Monoisotopic Mass: 618.156556g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 5
  • Complexity: 1730
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 141?2

Ferrate(2-),[7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-4-2)-(9CI) Related Literature

14023-16-6 (Ferrate(2-),[7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-4-2)-(9CI)) Related Products

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