102029-54-9
ADENOSINE 3'-PHOSPHATE 5'-PHOSPHOSULFATE, TETRALITHIUM SALT
NameADENOSINE 3'-PHOSPHATE 5'-PHOSPHOSULFATE, TETRALITHIUM SALT
FormulaC10 H11 N5 O13 P2 S . 4 Li
1Identification
【Name】
ADENOSINE 3'-PHOSPHATE 5'-PHOSPHOSULFATE, TETRALITHIUM SALT
【CAS】
【MDL】
MFCD02094723
【English Synonyms】
【Formula】
C10 H11 N5 O13 P2 S . 4 Li
【MolWeight】
530.997
【Inchi】
InChI=1S/C10H15N5O13P2S.4Li/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-31(23,24)28-30(20,21)22;;;;/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
【InChIKey】
InChIKey=XWIJNPMPIUNGDA-KWIZKVQNSA-J
【SMILES】
[Li+].[Li+].[Li+].[Li+].c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)N
【MOL File】
ADENOSINE 3'-PHOSPHA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:18
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ADENOSINE 3'-PHOSPHATE 5'-PHOSPHOSULFATE, TETRALITHIUM SALT.cml