50655-17-9
8-BENZYLTHIOADENOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
Name8-BENZYLTHIOADENOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
FormulaC17 H17 N5 O6 P S . Na
1Identification
【Name】
8-BENZYLTHIOADENOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
【CAS】
【MDL】
MFCD04118020
【English Synonyms】
【Formula】
C17 H17 N5 O6 P S . Na
【MolWeight】
473.38
【Inchi】
InChI=1S/C17H18N5O6PS.Na/c18-14-11-15(20-8-19-14)22(17(21-11)30-7-9-4-2-1-3-5-9)16-12(23)13-10(27-16)6-26-29(24,25)28-13;/h1-5,8,10,12-13,16,23H,6-7H2,(H,24,25)(H2,18,19,20);/q;+1/p-1/t10-,12-,13-,16-;/m1./s1
【InChIKey】
InChIKey=RUPKCPUFUGQGAS-KHXPSBENSA-M
【SMILES】
c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)[O-])O)N.[Na+]
【MOL File】
8-BENZYLTHIOADENOSIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-BENZYLTHIOADENOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT.cml