Cas no 62758-06-9 (Majusculamid A)

Majusculamid A structure
Majusculamid A structure
Product Name:Majusculamid A
CAS No:62758-06-9
MF:C28H45N3O5
MW:503.674008131027
CID:2047052
PubChem ID:171040334
Update Time:2025-04-21

Majusculamid A Chemical and Physical Properties

Names and Identifiers

    • Majusculamid A
    • Majusculamide A
    • DTXSID901046270
    • 62758-06-9
    • Inchi: 1S/C28H45N3O5/c1-8-9-10-11-12-13-24(32)20(4)27(34)30(5)23(18-21-14-16-22(36-7)17-15-21)28(35)31(6)25(19(2)3)26(29)33/h14-17,19-20,23,25H,8-13,18H2,1-7H3,(H2,29,33)
    • InChI Key: KKNYIFDIQAVMQG-UHFFFAOYSA-N
    • SMILES: CCCCCCCC(C(C(N(C(C(N(C(C(=O)N)C(C)C)C)=O)CC1C=CC(OC)=CC=1)C)=O)C)=O

Computed Properties

  • Exact Mass: 446.31445783Da
  • Monoisotopic Mass: 446.31445783Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 14
  • Complexity: 584
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.4
  • Topological Polar Surface Area: 66.9?2
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