Cas no 100205-23-0 (Hemoglobin J Sardegna(9CI))

Hemoglobin J Sardegna(9CI) structure
Hemoglobin J Sardegna(9CI) structure
Product Name:Hemoglobin J Sardegna(9CI)
CAS No:100205-23-0
MF:C19H36O4
MW:328.486746788025
CID:155881
Update Time:2024-01-25

Hemoglobin J Sardegna(9CI) Chemical and Physical Properties

Names and Identifiers

    • Hemoglobin J Sardegna(9CI)
    • Hemoglobin J Sardegna
    • Hb J Sardegna
    • Inchi: 1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m1/s1
    • InChI Key: KVYUBFKSKZWZSV-JTHGQSKGSA-N
    • SMILES: C(OC[C@H](O)CO)(=O)CCCCCCC/C=C\CCCCCC

Computed Properties

  • Exact Mass: 127.91183
  • Monoisotopic Mass: 328.261
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 17
  • Complexity: 289
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.4
  • Topological Polar Surface Area: 66.8A^2

Experimental Properties

  • PSA: 0
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