Catalog Number:
AG01DH2X
Chemical Name:
(2R,3R,4S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((benzoyloxy)methyl)-4-fluorotetrahydrofuran-3-yl benzoate
CAS Number:
135473-17-5
Molecular Formula:
C31H24FN5O6
Molecular Weight:
581.5506
MDL Number:
MFCD31803946
IUPAC Name:
[(2R,3R,4S,5R)-5-(6-benzamidopurin-9-yl)-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C31H24FN5O6/c32-23-25(43-31(40)21-14-8-3-9-15-21)22(16-41-30(39)20-12-6-2-7-13-20)42-29(23)37-18-35-24-26(33-17-34-27(24)37)36-28(38)19-10-4-1-5-11-19/h1-15,17-18,22-23,25,29H,16H2,(H,33,34,36,38)/t22-,23+,25-,29-/m1/s1
InChI Key:
QYZQBTPWIBSTSX-WJCHFDDQSA-N
SMILES:
O=C(c1ccccc1)O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@H]1F)n1cnc2c1ncnc2NC(=O)c1ccccc1
