Analyte Name

Dimethoxybenzyl-FLT-precursor

CAS Number

290371-75-4

Molecular Formula

C46 H45 N3 O13 S

Molecular Weight

879.927

Accurate Mass

879.267

SMILES

COc1ccc(cc1)C(OC[C@@H]2O[C@@H](C[C@H]2OS(=O)(=O)c3ccc(cc3)[N+](=O)[O-])N4C=C(C)C(=O)N(Cc5ccc(OC)cc5OC)C4=O)(c6ccccc6)c7ccc(OC)cc7

InChI

InChI=1S/C46H45N3O13S/c1-30-27-47(45(51)48(44(30)50)28-31-11-18-38(58-4)25-40(31)59-5)43-26-41(62-63(54,55)39-23-16-35(17-24-39)49(52)53)42(61-43)29-60-46(32-9-7-6-8-10-32,33-12-19-36(56-2)20-13-33)34-14-21-37(57-3)22-15-34/h6-25,27,41-43H,26,28-29H2,1-5H3/t41-,42+,43+/m1/s1

IUPAC

[(2S,3R,5S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-nitrobenzenesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat