Cas no 63528-82-5 (diethylstilbestrol disodium salt)

diethylstilbestrol disodium salt structure
63528-82-5 structure
Product Name:diethylstilbestrol disodium salt
CAS No:63528-82-5
MF:C18H18Na2O2
MW:312.313867092133
CID:960408
PubChem ID:3037262
Update Time:2025-04-19

diethylstilbestrol disodium salt Chemical and Physical Properties

Names and Identifiers

    • diethylstilbestrol disodium salt
    • disodium,4-[(E)-4-(4-oxidophenyl)hex-3-en-3-yl]phenolate
    • C18H18O2.2Na
    • D0527
    • DES disodium salt
    • 63528-82-5
    • 4,4'-Stilbenediol, alpha,alpha'-diethyl-, disodium salt
    • Diethylstilbestrol Disodium
    • alpha,alpha'-Diethyl-4,4'-stilbenediol disodium salt
    • disodium;4-[(E)-4-(4-oxidophenyl)hex-3-en-3-yl]phenolate
    • Inchi: 1S/C18H20O2.2Na/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;;/h5-12,19-20H,3-4H2,1-2H3;;/q;2*+1/p-2/b18-17+;;
    • InChI Key: IEUYBHJGPUETDA-QIKYXUGXSA-L
    • SMILES: [Na+].[Na+].[O-]C1C=CC(=CC=1)/C(/CC)=C(/C1C=CC(=CC=1)[O-])\CC

Computed Properties

  • Exact Mass: 312.11000
  • Monoisotopic Mass: 312.11021838g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 286
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 46.1?2

Experimental Properties

  • Color/Form: 。
  • PSA: 46.12000
  • LogP: 5.70500
  • Solubility: 。

diethylstilbestrol disodium salt Security Information

  • RTECS:WJ5600000
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