Cas no 29169-76-4 (The ligand of Chl c1)

The ligand of Chl c1 structure
The ligand of Chl c1 structure
Product Name:The ligand of Chl c1
CAS No:29169-76-4
MF:C35H32N4O5
MW:588.652388572693
CID:257959
Update Time:2023-11-19

The ligand of Chl c1 Chemical and Physical Properties

Names and Identifiers

    • 21-Phorbinecarboxylicacid,3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-,21-methyl ester (9CI)
    • 21-Phorbinecarboxylicacid,3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-,21-methyl
    • 21-Phorbinecarboxylicacid,3-(2-carboxyethenyl)-3,4-didehydro-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-,21-methyl ester, (E)-
    • 3-Phorbineacrylic acid,21-carboxy-3,4-didehydro-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-,21-methyl ester (8CI)
    • Pheophytin c1
    • Pheoporphyrin c1
    • CID 135565669
    • (132R,171E)-132α-(Methoxycarbonyl)-31,32,17,18,171,172-hexadehydrophytochlorin
    • The ligand of Chl c1
    • The ligand of Chlorophyll c1
    • Inchi: 1S/C35H32N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,10-14,31,36,42H,1,9H2,2-7H3,(H,40,41)/b11-10+,22-12-,26-13-,27-14-,32-30-/t31-/m1/s1
    • InChI Key: BAPHXJHZVZEZNA-IYVGJQOISA-N
    • SMILES: OC1=C2C(C)=C3C=C4C(CC)=C(C)C(C=C5C(C=C)=C(C)C(=CC6C(C)=C(/C=C/C(=O)O)C(=C(C2=N3)[C@H]1C(=O)OC)N=6)N5)=N4 |t:6,14,21,32|

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 6
  • Complexity: 1940
  • Topological Polar Surface Area: 133
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