Cas no 93882-11-2 (Uridine5'-(tetrahydrogen triphosphate), 5-bromo-, tetralithium salt (9CI))
93882-11-2 structure
Product Name:Uridine5'-(tetrahydrogen triphosphate), 5-bromo-, tetralithium salt (9CI)
CAS No:93882-11-2
MF:C9H10BrLi4N2O15P3
MW:586.769384860992
CID:818261
PubChem ID:44152562
Update Time:2025-04-19
Uridine5'-(tetrahydrogen triphosphate), 5-bromo-, tetralithium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Uridine5'-(tetrahydrogen triphosphate), 5-bromo-, tetralithium salt (9CI)
- 5-BROMOURIDINE 5'-TRIPHOSPHATE TETRALITHIUM SALT
- 5-BROMOURIDINE-5'-TRIPHOSPHATE LITHIUM SALT
- tetralithium,[[[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
- EINECS 299-412-3
- Uridine 5'-(tetrahydrogen triphosphate), 5-bromo-, tetralithium salt
- 93882-11-2
- lithium ((2R,3S,4R,5R)-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl triphosphate
- AKOS030524304
-
- Inchi： 1S/C9H14BrN2O15P3.4Li/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;;;/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19);;;;/q;4*+1/p-4/t4-,5-,6-,8-;;;;/m1..../s1
- InChI Key： HXXSHFKMXFTEJG-JFSFQOOPSA-J
- SMILES： BrC1C(NC(N(C=1)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1)O)O)=O)=O.[Li+].[Li+].[Li+].[Li+]
Computed Properties
- Exact Mass: 585.91200
- Monoisotopic Mass: 585.912
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 34
- Rotatable Bond Count: 7
- Complexity: 861
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 270A^2
Experimental Properties
- PSA: 305.12000
- LogP: 0.01440
Uridine5'-(tetrahydrogen triphosphate), 5-bromo-, tetralithium salt (9CI) Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
93882-11-2 (Uridine5'-(tetrahydrogen triphosphate), 5-bromo-, tetralithium salt (9CI)) Related Products
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