51549-54-3
N6,3'-O-DIBENZOYL-2'-DEOXYADENOSINE
NameN6,3'-O-DIBENZOYL-2'-DEOXYADENOSINE
1Identification
【Name】
N6,3'-O-DIBENZOYL-2'-DEOXYADENOSINE
【CAS】
【MDL】
MFCD00056180
【English Synonyms】
【Formula】
C24 H21 N5 O5
【MolWeight】
459.46
【Inchi】
InChI=1S/C24H21N5O5/c30-12-18-17(34-24(32)16-9-5-2-6-10-16)11-19(33-18)29-14-27-20-21(25-13-26-22(20)29)28-23(31)15-7-3-1-4-8-15/h1-10,13-14,17-19,30H,11-12H2,(H,25,26,28,31)/t17-,18+,19+/m0/s1
【InChIKey】
InChIKey=GRASBJRYLQJMMU-IPMKNSEASA-N
【SMILES】
c1ccc(cc1)C(=O)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)CO)OC(=O)c5ccccc5
【MOL File】
N6,3'-O-DIBENZOYL-2'….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N6,3'-O-DIBENZOYL-2'-DEOXYADENOSINE.cml