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Product Overview

Product Code

TRC-F532125

CAS Number

1962115-01-0

Product Format

Neat

Molecular Formula

C18 H24 F N8 O7 P S

Molecular Weight

546.47

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Information

Chemical Data

Analyte Name

((((R)-1-(6-((((5-Fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)amino)methyl)amino)-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic Acid

CAS Number

1962115-01-0

Molecular Formula

C18 H24 F N8 O7 P S

Molecular Weight

546.47

Accurate Mass

546.121

SMILES

CC(Cn1cnc2c(NCNC3=NC(=O)N(C=C3F)[C@@H]4CS[C@@H](CO)O4)ncnc12)OCP(=O)(O)O

InChI

InChI=1S/C18H24FN8O7PS/c1-10(33-9-35(30,31)32)2-26-8-24-14-16(22-7-23-17(14)26)21-6-20-15-11(19)3-27(18(29)25-15)12-5-36-13(4-28)34-12/h3,7-8,10,12-13,28H,2,4-6,9H2,1H3,(H,20,25,29)(H,21,22,23)(H2,30,31,32)/t10?,12-,13-/m0/s1

IUPAC

1-[6-[[[5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]amino]methylamino]purin-9-yl]propan-2-yloxymethylphosphonic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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((((R)-1-(6-((((5-Fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)amino)methyl)amino)-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic Acid

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