78080-27-0
BETA-PHENYL-1,N2-ETHENOGUANOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
NameBETA-PHENYL-1,N2-ETHENOGUANOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
FormulaC18 H15 N5 O7 P . Na
1Identification
【Name】
BETA-PHENYL-1,N2-ETHENOGUANOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
【CAS】
【MDL】
MFCD04118064
【English Synonyms】
【Formula】
C18 H15 N5 O7 P . Na
【MolWeight】
467.309
【Inchi】
InChI=1S/C18H16N5O7P.Na/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9;/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27);/q;+1/p-1/t11-,13-,14-,17-;/m1./s1
【InChIKey】
InChIKey=IGIOCJJIGJLGKR-TZNCIMHNSA-M
【SMILES】
c1ccc(cc1)c2cn3c(=O)c4c(nc3[nH]2)n(cn4)[C@H]5[C@@H]([C@H]6[C@H](O5)COP(=O)(O6)[O-])O.[Na+]
【MOL File】
BETA-PHENYL-1,N2-ETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
BETA-PHENYL-1,N2-ETHENOGUANOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT.cml