93882-11-2
5-BROMOURIDINE-5'-TRIPHOSPHATE LITHIUM SALT
Name5-BROMOURIDINE-5'-TRIPHOSPHATE LITHIUM SALT
FormulaC9 H10 Br N2 O15 P3 . 4 Li
1Identification
【Name】
5-BROMOURIDINE-5'-TRIPHOSPHATE LITHIUM SALT
【CAS】
【MDL】
MFCD00080897
【English Synonyms】
【Formula】
C9 H10 Br N2 O15 P3 . 4 Li
【MolWeight】
586.767
【Inchi】
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
【InChIKey】
InChIKey=HXXSHFKMXFTEJG-JFSFQOOPSA-J
【SMILES】
[Li+].[Li+].[Li+].[Li+].c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)Br
【MOL File】
5-BROMOURIDINE-5'-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:17
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMOURIDINE-5'-TRIPHOSPHATE LITHIUM SALT.cml