Cas no 72362-20-0 (Pukeleimid D)

Pukeleimid D structure
Pukeleimid D structure
Product Name:Pukeleimid D
CAS No:72362-20-0
MF:C13H16N2O6
MW:296.275943756104
CID:2041247
PubChem ID:23247770
Update Time:2025-04-21

Pukeleimid D Chemical and Physical Properties

Names and Identifiers

    • Pukeleimid D
    • Pukeleimide D
    • 1,5-Dihydro-1-[[(E)-4-hydroxy-4-hydroxymethyl-1-methyl-5-oxopyrrolidin-2-ylidene]acetyl]-4-methoxy-2H-pyrrol-2-one
    • 72362-20-0
    • DTXSID001046047
    • (5E)-3-hydroxy-3-(hydroxymethyl)-5-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrolidin-2-one
    • (5E)-3-hydroxy-3-(hydroxymethyl)-5-(2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-2-oxoethylidene)-1-methylpyrrolidin-2-one
    • Inchi: 1S/C13H16N2O6/c1-14-8(5-13(20,7-16)12(14)19)3-10(17)15-6-9(21-2)4-11(15)18/h3-4,16,20H,5-7H2,1-2H3/b8-3+
    • InChI Key: FNRFWNOUJULTBT-FPYGCLRLSA-N
    • SMILES: OC1(CO)C(N(C)/C(=C/C(N2C(C=C(C2)OC)=O)=O)/C1)=O

Computed Properties

  • Exact Mass: 296.10083623g/mol
  • Monoisotopic Mass: 296.10083623g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 567
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2
  • Topological Polar Surface Area: 107?2
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