Cas no 276864-66-5 (cavanine)

cavanine structure
cavanine structure
Product Name:cavanine
CAS No:276864-66-5
MF:C36H34N2O7
MW:606.664370059967
CID:6726082
Update Time:2024-03-03

cavanine Chemical and Physical Properties

Names and Identifiers

    • Cavanine
    • cavanine
    • Inchi: 1S/C36H34N2O7/c1-38-16-14-23-19-28(42-3)34(43-4)36-29(23)26(38)17-20-5-9-24(10-6-20)44-35-30-22(18-27(41-2)33(35)40)13-15-37-31(30)32(39)21-7-11-25(45-36)12-8-21/h5-13,15,18-19,26,32,39-40H,14,16-17H2,1-4H3/t26-,32-/m1/s1
    • InChI Key: RUJPHXSNWQFEMF-HVIPQOSHSA-N
    • SMILES: OC1C2OC3C=CC(C[C@@H]4C5C(=C(C(=CC=5CCN4C)OC)OC)OC4C=CC([C@H](C5C=2C(C=CN=5)=CC=1OC)O)=CC=4)=CC=3

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 45
  • XLogP3: 1.357
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