Cas no 5965-09-3 (fosfestrol disodium)
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
fosfestrol disodium Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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