Acelarin

Analyte Name

Acelarin

CAS Number

840506-29-8

Molecular Formula

C25 H27 F2 N4 O8 P

Molecular Weight

580.474

Accurate Mass

580.153

SMILES

C[C@H](NP(=O)(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)C(F)(F)[C@@H]1O)Oc3ccccc3)C(=O)OCc4ccccc4

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

IUPAC

benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat