Cas no 23519-26-8 (Phenol,4-[(1E)-1-ethyl-2-[4-(phosphonooxy)phenyl]-1-buten-1-yl]-, 1-(dihydrogenphosphate), sodium salt (1:4))
23519-26-8 structure
Product Name:Phenol,4-[(1E)-1-ethyl-2-[4-(phosphonooxy)phenyl]-1-buten-1-yl]-, 1-(dihydrogenphosphate), sodium salt (1:4)
CAS No:23519-26-8
MF:C18H18Na4O8P2
MW:516.237330913544
CID:254370
PubChem ID:3034148
Update Time:2025-04-19
Phenol,4-[(1E)-1-ethyl-2-[4-(phosphonooxy)phenyl]-1-buten-1-yl]-, 1-(dihydrogenphosphate), sodium salt (1:4) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-[(1E)-1-ethyl-2-[4-(phosphonooxy)phenyl]-1-buten-1-yl]-, 1-(dihydrogenphosphate), sodium salt (1:4)
- Phenol,4-[(1E)-1-ethyl-2-[4-(phosphonooxy)phenyl]-1-buten-1-yl]-, 1-(dihydrogenphosphate), sod...
- 23519-26-8
- Diethylstilbestrol diphosphate tetrasodium salt
- Fosfestrol Sodium
- Sodium diethylstilbesterol diphosphate
- FOSFESTROL TETRASODIUM [WHO-DD]
- 4,4'-Stilbenediol, alpha,alpha'-diethyl-, bis(dihydrogen phosphate), tetrasodium salt, (E)-
- Tetrasodium diethylstilbestrol phosphate
- 4,4'-Stilbenediol, alpha,alpha'-diethyl-, diphosphate tetrasodium salt
- Fosfestrol sodium salt
- Stilphostrol (TN)
- Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-, bis(dihydrogenphosphate), tetrasodium salt
- 4,4'-Dihydroxy-alpha,alpha'-diethyl-stilben-diphosphate tetrasodium
- Stilbestrol diphosphate sodium
- G9I1882VSD
- (E)-.ALPHA.,.ALPHA.'-DIETHYLSTILBENE-4,4'-DIOL BIS(DIHYDROGEN PHOSPHATE), TETRASODIUM SALT
- Sodium (E)-hex-3-ene-3,4-diylbis(4,1-phenylene) bis(phosphate)
- D07826
- EINECS 225-209-6
- 4,4'-Stilbenediol, alpha,alpha'-diethyl-, bis(dihydrogen phosphate), tetrasodium salt (E)-
- Diethylstilbestrol diphosphate tetrasodium
- Tetrasodium fosfestrol
- Honvol
- Q27278967
- Fosfestrol tetrasodium salt
- UNII-G9I1882VSD
- Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, bis(dihydrogen phosphate), sodium salt, (E)-
- ANHYDROUS FOSFESTROL TETRASODIUM
- A914901
- Fosfestrol tetrasodium
- tetrasodium;[4-[(E)-4-(4-phosphonatooxyphenyl)hex-3-en-3-yl]phenyl] phosphate
- Diethylstilbestrol 4,4'-di(disodium phosphate)
- 4719-75-9
- FOSFESTROL TETRASODIUM SALT [MI]
- Honvan tetrasodium
- FOSFESTROL SODIUM [MART.]
- Tetrasodium (E)-4,4'-(1,2-diethylethylene)diphenyl bis(phosphate)
-
- Inchi: 1S/C18H22O8P2.4Na/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;4*+1/p-4/b18-17+;;;;
- InChI Key: XGZAXRQNRRXUMY-MJCKVQKWSA-J
- SMILES: P(=O)([O-])([O-])OC1C=CC(=CC=1)/C(/CC)=C(/C1C=CC(=CC=1)OP(=O)([O-])[O-])\CC.[Na+].[Na+].[Na+].[Na+]
Computed Properties
- Exact Mass: 516.007
- Monoisotopic Mass: 516.007
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 32
- Rotatable Bond Count: 6
- Complexity: 545
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 145A^2
Experimental Properties
- Density: 1.433
- Boiling Point: 648.7°Cat760mmHg
- Flash Point: 346.1°C
- PSA: 164.46000
- LogP: 6.11320
Phenol,4-[(1E)-1-ethyl-2-[4-(phosphonooxy)phenyl]-1-buten-1-yl]-, 1-(dihydrogenphosphate), sodium salt (1:4) Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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