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AFB-Guanine Acetic Acid Salt

Product Code

TRC-A355350

Product Format

Neat

Molecular Formula

C22 H17 N5 O8 . C2 H4 O2

Molecular Weight

539.451

Product Categories

TRC

Alternate CAS Number

Free Base: 63425-04-7

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

AFB-Guanine Acetic Acid Salt

Molecular Formula

C22 H17 N5 O8 . C2 H4 O2

Molecular Weight

539.451

Accurate Mass

539.129

SMILES

COc1cc2O[C@H]3O[C@H]([C@H](O)[C@H]3c2c4OC(=O)C5=C(CCC5=O)c14)n6cnc7NC(=NC(=O)c67)N.CC(=O)O

InChI

InChI=1S/C22H17N5O8.C2H4O2/c1-32-8-4-9-12(16-11(8)6-2-3-7(28)10(6)20(31)34-16)13-15(29)19(35-21(13)33-9)27-5-24-17-14(27)18(30)26-22(23)25-17;1-2(3)4/h4-5,13,15,19,21,29H,2-3H2,1H3,(H3,23,25,26,30);1H3,(H,3,4)/t13-,15-,19-,21+;/m1./s1

IUPAC

acetic acid;(3R,4R,5R,7S)-5-(2-amino-6-oxo-3H-purin-7-yl)-4-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1(12),2(9),10,13(17)-tetraene-16,18-dione

Alternate CAS Number

Free Base: 63425-04-7

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat
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