Cas no 7224-51-3 (Guanidine, 1,1'-[[21b-(b-D-glucopyranosyloxy)pregn-4-ene-3,20-diylidene]dinitrilo]di-,dihydrochloride (7CI,8CI))

Guanidine, 1,1'-[[21b-(b-D-glucopyranosyloxy)pregn-4-ene-3,20-diylidene]dinitrilo]di-,dihydrochloride (7CI,8CI) structure
7224-51-3 structure
Product Name:Guanidine, 1,1'-[[21b-(b-D-glucopyranosyloxy)pregn-4-ene-3,20-diylidene]dinitrilo]di-,dihydrochloride (7CI,8CI)
CAS No:7224-51-3
MF:C13H12I2O3
MW:470.041528701782
CID:579257
PubChem ID:5231616
Update Time:2025-04-19

Guanidine, 1,1'-[[21b-(b-D-glucopyranosyloxy)pregn-4-ene-3,20-diylidene]dinitrilo]di-,dihydrochloride (7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • Guanidine, 1,1'-[[21b-(b-D-glucopyranosyloxy)pregn-4-ene-3,20-diylidene]dinitrilo]di-,dihydrochloride (7CI,8CI)
    • 1,6-diiodo-2,4,5-trimethoxynaphthalene
    • DTXSID40411838
    • 7224-51-3
    • Inchi: 1S/C13H12I2O3/c1-16-9-6-10(17-2)12(15)7-4-5-8(14)13(18-3)11(7)9/h4-6H,1-3H3
    • InChI Key: BGMHVSDVPFWKTJ-UHFFFAOYSA-N
    • SMILES: IC1C(=CC(=C2C(=C(C=CC2=1)I)OC)OC)OC

Computed Properties

  • Exact Mass: 469.88666
  • Monoisotopic Mass: 469.88759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 277
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.4
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • PSA: 27.69
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