188755-51-3
7-AMINO-4-METHYLCOUMARIN-3-ACETYL-(5-[3-AMINOALLYL]-2'-DEOXYURIDINE 5'-TRIPHOSPHATE) TETRALITHIUM SALT
Name7-AMINO-4-METHYLCOUMARIN-3-ACETYL-(5-[3-AMINOALLYL]-2'-DEOXYURIDINE 5'-TRIPHOSPHATE) TETRALITHIUM SALT
FormulaC23 H23 N4 O17 P3 . 4 Li
1Identification
【Name】
7-AMINO-4-METHYLCOUMARIN-3-ACETYL-(5-[3-AMINOALLYL]-2'-DEOXYURIDINE 5'-TRIPHOSPHATE) TETRALITHIUM SALT
【CAS】
【MDL】
MFCD16879047
【English Synonyms】
【Formula】
C23 H23 N4 O17 P3 . 4 Li
【MolWeight】
748.132
【Inchi】
InChI=1S/C23H27N4O17P3.4Li/c1-11-14-5-4-13(24)7-17(14)40-21(31)15(11)8-18(29)25-6-2-3-12-10-27(23(32)26-20(12)30)19-9-16(28)22(41-19)42-46(36,37)44-47(38,39)43-45(33,34)35;;;;/h2,4-7,10,16,19,22,28H,3,8-9,24H2,1H3,(H,25,29)(H,36,37)(H,38,39)(H,26,30,32)(H2,33,34,35);;;;/q;4*+1/p-4/b6-2+;;;;/t16-,19+,22+;;;;/m0..../s1
【InChIKey】
InChIKey=JRNSQRZBFCKRTI-PEOFFHQSSA-J
【SMILES】
[Li+].[Li+].[Li+].[Li+].Cc1c2ccc(cc2oc(=O)c1CC(=O)N/C=C/Cc3cn(c(=O)[nH]c3=O)[C@H]4C[C@@H]([C@H](O4)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N
【MOL File】
7-AMINO-4-METHYLCOUM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:21
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-AMINO-4-METHYLCOUMARIN-3-ACETYL-(5-[3-AMINOALLYL]-2'-DEOXYURIDINE 5'-TRIPHOSPHATE) TETRALITHIUM SALT.cml