170023-67-3
N6-(DIISOBUTYLAMINOMETHYLIDENE)-5'-O-(DIMETHOXYTRITYL)-O2-(DIPHENYLCARBAMOYL)-2'-DEOXYISOGUANOSINE
NameN6-(DIISOBUTYLAMINOMETHYLIDENE)-5'-O-(DIMETHOXYTRITYL)-O2-(DIPHENYLCARBAMOYL)-2'-DEOXYISOGUANOSINE
1Identification
【Name】
N6-(DIISOBUTYLAMINOMETHYLIDENE)-5'-O-(DIMETHOXYTRITYL)-O2-(DIPHENYLCARBAMOYL)-2'-DEOXYISOGUANOSINE
【CAS】
【MDL】
MFCD01630987
【English Synonyms】
【Formula】
C53 H57 N7 O7
【MolWeight】
904.075
【Inchi】
InChI=1S/C53H57N7O7/c1-36(2)31-58(32-37(3)4)34-55-49-48-50(57-51(56-49)67-52(62)60(41-18-12-8-13-19-41)42-20-14-9-15-21-42)59(35-54-48)47-30-45(61)46(66-47)33-65-53(38-16-10-7-11-17-38,39-22-26-43(63-5)27-23-39)40-24-28-44(64-6)29-25-40/h7-29,34-37,45-47,61H,30-33H2,1-6H3/b55-34+/t45-,46+,47+/m0/s1
【InChIKey】
InChIKey=GFFBTUIDURDYLV-RJLCOOHDSA-N
【SMILES】
CC(C)CN(CC(C)C)/C=N/c1c2c(nc(n1)OC(=O)N(c3ccccc3)c4ccccc4)n(cn2)[C@H]5C[C@@H]([C@H](O5)COC(c6ccccc6)(c7ccc(cc7)OC)c8ccc(cc8)OC)O
【MOL File】
N6-(DIISOBUTYLAMINOM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:14
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N6-(DIISOBUTYLAMINOMETHYLIDENE)-5'-O-(DIMETHOXYTRITYL)-O2-(DIPHENYLCARBAMOYL)-2'-DEOXYISOGUANOSINE.cml