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Product Code

TRC-A611735

CAS Number

1246812-29-2

Product Format

Neat

Molecular Formula

C25H22IN5O4

Molecular Weight

583.39

Product Type

API

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Product Information

Chemical Data

Analyte Name

[(1S)-(1alpha,2beta,3beta)]-3-(2-Amino-6-iodo-7H-purin-7-yl)-1,2-cyclobutanedimethanol Dibenzoate Ester

CAS Number

1246812-29-2

Molecular Formula

C25H22IN5O4

Molecular Weight

583.39

Accurate Mass

583.07

SMILES

C/C=C\C(C(OC[C@H]1C[C@@H](N2C=NC3=C2C(I)=NC(N)=N3)[C@@H]1COC(C4=CC=CC=C4)=O)=O)=C

InChI

InChI=1S/C24H24IN5O4/c1-3-7-14(2)22(31)33-11-16-10-18(17(16)12-34-23(32)15-8-5-4-6-9-15)30-13-27-21-19(30)20(25)28-24(26)29-21/h3-9,13,16-18H,2,10-12H2,1H3,(H2,26,28,29)/b7-3-/t16-,17-,18-/m1/s1

IUPAC

((1S,2R,3R)-3-(2-amino-6-iodo-7H-purin-7-yl)cyclobutane-1,2-diyl)bis(methylene) dibenzoate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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