Cas no 549-60-0 (Triquinine bis(phosphate))
Triquinine bis(phosphate) structure
Product Name:Triquinine bis(phosphate)
CAS No:549-60-0
MF:C20H27N2O6P
MW:422.41194653511
CID:377685
PubChem ID:71458159
Update Time:2025-04-19
Triquinine bis(phosphate) Chemical and Physical Properties
Names and Identifiers
-
- Triquinine bis(phosphate)
- (S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol,phosphoric acid
- QUININE PHOSPHATE
- QUININE PHOSPHATE,PURIFIED
- (S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
- SCHEMBL18523289
- (R)-[(2S,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;phosphoric acid
- 549-60-0
-
- Inchi： 1S/C20H24N2O2.H3O4P/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H3,1,2,3,4)/t13-,14-,19-,20+;/m0./s1
- InChI Key： YONMXAODZKOTLR-DSXUQNDKSA-N
- SMILES： P(=O)(O)(O)O.O[C@H](C1C=CN=C2C=CC(=CC=12)OC)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C
Computed Properties
- Exact Mass: 422.16100
- Monoisotopic Mass: 422.16067358g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 507
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 123?2
Experimental Properties
- PSA: 133.16000
- LogP: 2.18250
Triquinine bis(phosphate) Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
549-60-0 (Triquinine bis(phosphate)) Related Products
- 572-60-1(9-epi Quinine)
- 6183-68-2(Quinine bisulfate heptahydrate)
- 130-89-2(Quinine hydrochloride)
- 56-54-2(Quinidine)
- 572-59-8(Epiquinidine)
- 130-95-0(Quinine)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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