N-Acetyl 2-[(2-Amino-6-chloro-9H-purin-9-yl)methoxy]-1,3-propanediol Diacetate Dimer

Analyte Name

N-Acetyl 2-[(2-Amino-6-chloro-9H-purin-9-yl)methoxy]-1,3-propanediol Diacetate Dimer

Molecular Formula

C31 H36 Cl2 N10 O12

Molecular Weight

811.583

Accurate Mass

810.189

SMILES

CC(=O)OCC(COC(=O)C)OCn1cnc2c(Cl)nc(nc12)N(CN(C(=O)C)c3nc(Cl)c4ncn(COC(COC(=O)C)COC(=O)C)c4n3)C(=O)C

InChI

InChI=1S/C31H36Cl2N10O12/c1-16(44)42(30-36-26(32)24-28(38-30)40(11-34-24)14-54-22(7-50-18(3)46)8-51-19(4)47)13-43(17(2)45)31-37-27(33)25-29(39-31)41(12-35-25)15-55-23(9-52-20(5)48)10-53-21(6)49/h11-12,22-23H,7-10,13-15H2,1-6H3

IUPAC

[2-[[2-[acetyl-[[acetyl-[6-chloro-9-(1,3-diacetyloxypropan-2-yloxymethyl)purin-2-yl]amino]methyl]amino]-6-chloropurin-9-yl]methoxy]-3-acetyloxypropyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat