Cas no 84306-88-7 (Dihydropentagynine)

Dihydropentagynine structure
Dihydropentagynine structure
Product Name:Dihydropentagynine
CAS No:84306-88-7
MF:C23H37NO5
MW:407.543587446213
CID:6768299
Update Time:2024-03-03

Dihydropentagynine Chemical and Physical Properties

Names and Identifiers

    • Dihydropentagynine
    • Inchi: 1S/C23H37NO5/c1-5-24-10-21(2)7-6-14(25)23-12-8-11-13(28-3)9-22(27,15(12)17(11)26)16(20(23)24)18(29-4)19(21)23/h11-20,25-27H,5-10H2,1-4H3/t11-,12-,13+,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-/m1/s1
    • InChI Key: MAFISJYAUUZDMK-GYXKTGJPSA-N
    • SMILES: [C@H]12[C@]3(O)[C@@H]4[C@@H](C[C@@H]([C@H]4O)[C@@H](OC)C3)[C@@]34[C@H]1N(CC)C[C@](CC[C@H]3O)(C)[C@@H]4[C@@H]2OC

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • XLogP3: 0.358
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