Cas no 77222-65-2 (Deuteroporphyrin IX 2,4 (4,2) hydroxyethyl vinyl)

Deuteroporphyrin IX 2,4 (4,2) hydroxyethyl vinyl structure
77222-65-2 structure
Product Name:Deuteroporphyrin IX 2,4 (4,2) hydroxyethyl vinyl
CAS No:77222-65-2
MF:C34H36N4O5
MW:580.67344
CID:890658
PubChem ID:455607
Update Time:2024-10-27

Deuteroporphyrin IX 2,4 (4,2) hydroxyethyl vinyl Chemical and Physical Properties

Names and Identifiers

    • 3-[18-(2-carboxyethyl)-13-ethenyl-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
    • DEUTEROPORPHYRIN IX 2,4 (4,2) HYDROXYETHYL VINYL
    • 8,13(13,8)-1-hydroxyethyl,vinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-
    • 8,13(13,8)-1-hydroxyethyl,vinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid
    • UNII-8H8GR50XSY
    • 3,8,13,17-Tetramethyl-12-(1-hydroxyethyl)-7-ethenyl-21H,23H-porphine-2,18-dipropanoic acid
    • 7-Ethenyl-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid
    • 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin
    • 7-Ethenyl-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoicacid
    • 3-[(1Z,4Z,9Z,15Z)-18-(2-carboxyethyl)-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-13-vinyl-21,23-dihydroporphyrin-2-yl]propanoic acid
    • AGN-PC-0JRCBQ
    • CHEMBL273985
    • DTXSID20332411
    • 8,13(13,8)-1-hydroxyethyl,vinyl-3,7,12, 17-tetramethyl-21H,23H-porphine-2, 18-dipropionic acid
    • 77222-65-2
    • Deuteroporphyrin IX, 2-hydroxyethyl-4-vinyl
    • 21H,23H-porphine-2,18-dipropanoic acid, 7-ethenyl-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-
    • 8H8GR50XSY
    • Deuteroporphyrin IX 2,4 (4,2) hydroxyethyl vinyl
    • Inchi: InChI=1S/C34H36N4O5/c1-7-21-16(2)26-14-31-34(20(6)39)19(5)27(38-31)12-24-17(3)22(8-10-32(40)41)29(36-24)15-30-23(9-11-33(42)43)18(4)25(37-30)13-28(21)35-26/h7,12-15,20,35,38-39H,1,8-11H2,2-6H3,(H,40,41)(H,42,43)
    • InChI Key: YFPRKBHRSWJRBU-UHFFFAOYSA-N
    • SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C

Computed Properties

  • Exact Mass: 580.26857026g/mol
  • Monoisotopic Mass: 580.26857026g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 8
  • Complexity: 1010
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 152?2

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