Cas no 5965-09-3 (fosfestrol disodium)

fosfestrol disodium structure
fosfestrol disodium structure
Product Name:fosfestrol disodium
CAS No:5965-09-3
MF:C18H22NaO8P2
MW:451.299778461456
CID:950436
PubChem ID:21150909
Update Time:2025-04-19

fosfestrol disodium Chemical and Physical Properties

Names and Identifiers

    • fosfestrol disodium
    • FOSFESTROL SODIUM, BP STANDARD
    • disodium (3Z)-hex-3-ene-3,4-diyldibenzene-4,1-diyl bis[hydrogen (phosphate)]
    • disodium stilboestrol diphosphate
    • Stilphostrol
    • Stilphostrol disodium salt
    • NSC-10481
    • PSCCMCIRPZMNQK-ZAGWXBKKSA-N
    • sodium;[4-[(E)-4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
    • Diethylstilbestrol 4, disodium salt
    • NSC10481
    • Phenol,4'-(1,2-diethyl-1,2-ethenediyl)bis-, bis(dihydrogen phosphate), disodium salt, (E)-
    • SP-52-ASTA
    • Cytonal disodium salt
    • 4, .alpha.,.alpha.'-diethyl-, bis(dihydrogen phosphate), disodium salt, (E)-
    • Fosfestrolsodium
    • 5965-09-3
    • Knonvan
    • 4, .alpha.,.alpha.'-diethyl-, diphosphate, disodium salt
    • Diethylstilbestrol diphosphoric acid ester disodium salt
    • Inchi: 1S/C18H22O8P2.Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);/q;+1/b18-17+;
    • InChI Key: PSCCMCIRPZMNQK-ZAGWXBKKSA-N
    • SMILES: P(=O)(O)(O)OC1C=CC(=CC=1)/C(/CC)=C(/C1C=CC(=CC=1)OP(=O)(O)O)\CC.[Na+]

Computed Properties

  • Exact Mass: 451.069
  • Monoisotopic Mass: 451.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 8
  • Complexity: 568
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 134A^2

Experimental Properties

  • Melting Point: melt at 230°
  • Boiling Point: 648.7°C at 760 mmHg
  • Flash Point: 346.1°C
  • PSA: 153.14000
  • LogP: 4.36040

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