510774-50-2
8-(4-CHLOROPHENYLTHIO)-2'-O-METHYLADENOSINE 3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
Name8-(4-CHLOROPHENYLTHIO)-2'-O-METHYLADENOSINE 3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
FormulaC17 H16 Cl N5 O6 P S . Na
1Identification
【Name】
8-(4-CHLOROPHENYLTHIO)-2'-O-METHYLADENOSINE 3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
【CAS】
【MDL】
MFCD04974491
【English Synonyms】
【Formula】
C17 H16 Cl N5 O6 P S . Na
【MolWeight】
507.825
【Inchi】
InChI=1S/C17H17ClN5O6PS.Na/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9;/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21);/q;+1/p-1/t10-,12-,13-,16-;/m1./s1
【InChIKey】
InChIKey=VHTMKTNUXDACHB-KHXPSBENSA-M
【SMILES】
CO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)[O-])O[C@H]1n3c4c(c(ncn4)N)nc3Sc5ccc(cc5)Cl.[Na+]
【MOL File】
8-(4-CHLOROPHENYLTHI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:11
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(4-CHLOROPHENYLTHIO)-2'-O-METHYLADENOSINE 3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT.cml