Analyte Name

2',3'-Anhydro-N-[(4-methoxyphenyl)diphenylmethyl]-5'-O-[(4-methoxyphenyl)diphenylmethyl]adenosine-13C5

Molecular Formula

13C5 C45 H43 N5 O5

Molecular Weight

798.87

Accurate Mass

798.343

SMILES

COc1ccc(cc1)C(Nc2ncnc3c2ncn3[13C@@H]4O[13C@H]([13CH2]OC(c5ccccc5)(c6ccccc6)c7ccc(OC)cc7)[13C@H]8O[13C@@H]48)(c9ccccc9)c%10ccccc%10

InChI

InChI=1S/C50H43N5O5/c1-56-40-27-23-36(24-28-40)49(34-15-7-3-8-16-34,35-17-9-4-10-18-35)54-46-43-47(52-32-51-46)55(33-53-43)48-45-44(60-45)42(59-48)31-58-50(37-19-11-5-12-20-37,38-21-13-6-14-22-38)39-25-29-41(57-2)30-26-39/h3-30,32-33,42,44-45,48H,31H2,1-2H3,(H,51,52,54)/t42-,44-,45-,48-/m1/s1/i31+1,42+1,44+1,45+1,48+1

IUPAC

9-[(1R,2R,4R,5R)-4-[[(4-methoxyphenyl)-diphenylmethoxy](113C)methyl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-6-amine

Unlabelled CAS Number

101856-99-9

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat