2-Oxo-posaconazole

Analyte Name

2-Oxo-posaconazole

Molecular Formula

C37 H40 F2 N8 O5

Molecular Weight

714.761

Accurate Mass

714.309

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(C(=O)C3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccc(F)cc7F)cc4

InChI

InChI=1S/C37H40F2N8O5/c1-3-34(25(2)48)47-36(50)46(24-42-47)30-7-5-28(6-8-30)43-14-15-45(35(49)18-43)29-9-11-31(12-10-29)51-19-26-17-37(52-20-26,21-44-23-40-22-41-44)32-13-4-27(38)16-33(32)39/h4-13,16,22-26,34,48H,3,14-15,17-21H2,1-2H3/t25-,26+,34-,37-/m0/s1

IUPAC

1-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]-4-[4-[1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat