Catalog Number:
AG00G7DJ
Chemical Name:
Acelarin
CAS Number:
840506-29-8
Molecular Formula:
C25H27F2N4O8P
Molecular Weight:
580.4744
MDL Number:
MFCD27987942
IUPAC Name:
benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
InChI:
InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1
InChI Key:
NHTKGYOMICWFQZ-KKQYNPQSSA-N
SMILES:
O=C([C@@H](NP(=O)(Oc1ccccc1)OC[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)N)C)OCc1ccccc1
UNII:
XCL1K2T28K
