Analyte Name

(2S,3S,6R)-6-[1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl-(9H-purin-6-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Molecular Formula

C28 H26 F N7 O7

Molecular Weight

591.547

Accurate Mass

591.188

SMILES

CCC(N([C@@H]1O[C@@H]([C@@H](O)C(O)C1O)C(=O)O)c2ncnc3[nH]cnc23)C4=Nc5cccc(F)c5C(=O)N4c6ccccc6

InChI

InChI=1S/C28H26FN7O7/c1-2-16(24-34-15-10-6-9-14(29)17(15)26(40)35(24)13-7-4-3-5-8-13)36(25-18-23(31-11-30-18)32-12-33-25)27-21(39)19(37)20(38)22(43-27)28(41)42/h3-12,16,19-22,27,37-39H,2H2,1H3,(H,41,42)(H,30,31,32,33)/t16?,19?,20-,21?,22-,27+/m0/s1

IUPAC

(2S,3S,6R)-6-[1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl-(9H-purin-6-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat