717876-75-0
8-BROMO-N2-(DIMETHYLAMINOMETHYLIDENE)-2'-DEOXYGUANOSINE
Name8-BROMO-N2-(DIMETHYLAMINOMETHYLIDENE)-2'-DEOXYGUANOSINE
1Identification
【Name】
8-BROMO-N2-(DIMETHYLAMINOMETHYLIDENE)-2'-DEOXYGUANOSINE
【CAS】
【MDL】
MFCD01630974
【English Synonyms】
【Formula】
C13 H17 Br N6 O4
【MolWeight】
401.219
【Inchi】
InChI=1S/C13H17BrN6O4/c1-19(2)5-15-13-17-10-9(11(23)18-13)16-12(14)20(10)8-3-6(22)7(4-21)24-8/h5-8,21-22H,3-4H2,1-2H3,(H,17,18,23)/b15-5+/t6-,7+,8+/m0/s1
【InChIKey】
InChIKey=ZSILXQZBZDBZNX-YEKXCLRCSA-N
【SMILES】
CN(C)/C=N/c1[nH]c(=O)c2c(n1)n(c(n2)Br)[C@H]3C[C@@H]([C@H](O3)CO)O
【MOL File】
8-BROMO-N2-(DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-BROMO-N2-(DIMETHYLAMINOMETHYLIDENE)-2'-DEOXYGUANOSINE.cml