Analyte Name

N-Benzoyl-5-((2-cyanoethoxy)methyl)-2'-deoxycytidine CEP

CAS Number

188411-06-5

Molecular Formula

C50 H57 N6 O9 P

Molecular Weight

916.996

Accurate Mass

916.392

SMILES

COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)N3C=C(COCCC#N)C(=NC3=O)NC(=O)c4ccccc4)(c5ccccc5)c6ccc(OC)cc6

InChI

InChI=1S/C50H57N6O9P/c1-35(2)56(36(3)4)66(63-30-14-28-52)65-44-31-46(55-32-38(33-61-29-13-27-51)47(54-49(55)58)53-48(57)37-15-9-7-10-16-37)64-45(44)34-62-50(39-17-11-8-12-18-39,40-19-23-42(59-5)24-20-40)41-21-25-43(60-6)26-22-41/h7-12,15-26,32,35-36,44-46H,13-14,29-31,33-34H2,1-6H3,(H,53,54,57,58)/t44-,45+,46+,66?/m0/s1

IUPAC

N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-5-(2-cyanoethoxymethyl)-2-oxopyrimidin-4-yl]benzamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat