4-(1,2,4-Triazolyl)-3’5’-di-O-p-toluoyl-2’-deoxycytidine-13C,15N2

Analyte Name

4-(1,2,4-Triazolyl)-3’5’-di-O-p-toluoyl-2’-deoxycytidine-13C,15N2

Molecular Formula

13C C26 H25 15N2 N3 O6

Molecular Weight

518.497

Accurate Mass

518.178

SMILES

Cc1ccc(cc1)C(=O)OC[C@H]2O[C@H](CC2OC(=O)c3ccc(C)cc3)[15N]4C=CC(=[15N][13C]4=O)n5cncn5

InChI

InChI=1S/C27H25N5O6/c1-17-3-7-19(8-4-17)25(33)36-14-22-21(38-26(34)20-9-5-18(2)6-10-20)13-24(37-22)31-12-11-23(30-27(31)35)32-16-28-15-29-32/h3-12,15-16,21-22,24H,13-14H2,1-2H3/t21?,22-,24-/m1/s1/i27+1,30+1,31+1

IUPAC

[(2R,5R)-3-(4-methylbenzoyl)oxy-5-[2-oxo-4-(1,2,4-triazol-1-yl)(213C,1,3-15N2)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate

Alternate CAS Number

for d1: 131131-99-2

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat