Cas no 123406-51-9 (isodomoic acid F)

isodomoic acid F structure
isodomoic acid F structure
Product Name:isodomoic acid F
CAS No:123406-51-9
MF:C15H21NO6
MW:311.33034491539
CID:2002901
PubChem ID:3150
Update Time:2025-04-21

isodomoic acid F Chemical and Physical Properties

Names and Identifiers

    • isodomoic acid F
    • DTXSID60864483
    • NS00006559
    • 3-Pyrrolidineacetic acid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadien-1-yl)-
    • 123406-51-9
    • (-)-domoic acid
    • FT-0625587
    • Inchi: 1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)
    • InChI Key: VZFRNCSOCOPNDB-UHFFFAOYSA-N
    • SMILES: OC(C1C(CC(=O)O)C(C(=CC=CC(C(=O)O)C)C)CN1)=O

Computed Properties

  • Exact Mass: 311.13688739g/mol
  • Monoisotopic Mass: 311.13688739g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 510
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: -1.3
  • Topological Polar Surface Area: 124?2
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