133471-06-4
3',5'-DI-O-ACETYL-O6-PHENYL-2'-DEOXYINOSINE
Name3',5'-DI-O-ACETYL-O6-PHENYL-2'-DEOXYINOSINE
1Identification
【Name】
3',5'-DI-O-ACETYL-O6-PHENYL-2'-DEOXYINOSINE
【CAS】
【MDL】
MFCD01630984
【English Synonyms】
【Formula】
C20 H20 N4 O6
【MolWeight】
412.4
【Inchi】
InChI=1S/C20H20N4O6/c1-12(25)27-9-16-15(28-13(2)26)8-17(30-16)24-11-23-18-19(24)21-10-22-20(18)29-14-6-4-3-5-7-14/h3-7,10-11,15-17H,8-9H2,1-2H3/t15-,16+,17+/m0/s1
【InChIKey】
InChIKey=PHPOEQOFLFRTBK-GVDBMIGSSA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3Oc4ccccc4)OC(=O)C
【MOL File】
3',5'-DI-O-ACETYL-O6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3',5'-DI-O-ACETYL-O6-PHENYL-2'-DEOXYINOSINE.cml