120912-55-2
5,6-DICHLORO-1-BETA-D-RIBOFURANOSYLBENZIMIDAZOLE-3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER SODIUM SALT
Name5,6-DICHLORO-1-BETA-D-RIBOFURANOSYLBENZIMIDAZOLE-3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER SODIUM SALT
FormulaC12 H10 Cl2 N2 O5 P S . Na
1Identification
【Name】
5,6-DICHLORO-1-BETA-D-RIBOFURANOSYLBENZIMIDAZOLE-3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER SODIUM SALT
【CAS】
【MDL】
MFCD01076459
【English Synonyms】
【Formula】
C12 H10 Cl2 N2 O5 P S . Na
【MolWeight】
419.156
【Inchi】
InChI=1S/C12H11Cl2N2O5PS.Na/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-10(17)11-9(20-12)3-19-22(18,23)21-11;/h1-2,4,9-12,17H,3H2,(H,18,23);/q;+1/p-1/t9-,10-,11-,12-,22?;/m1./s1
【InChIKey】
InChIKey=LXTHVPHQPNCKKG-MOBMELGVSA-M
【SMILES】
c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)[O-])O.[Na+]
【MOL File】
5,6-DICHLORO-1-BETA-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,6-DICHLORO-1-BETA-D-RIBOFURANOSYLBENZIMIDAZOLE-3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER SODIUM SALT.cml