. Author manuscript; available in PMC: 2013 May 30.

Published in final edited form as: J Am Chem Soc. 2012 May 18;134(21):8734–8737. doi: 10.1021/ja300218x

Table 1. Relative ³¹P and ¹⁹F NMR chemical shifts and absolute configurations of β, γ-CHX dGTP diastereomer pairs.

Compounds	³¹P NMR P_α	³¹P NMR P_β	¹⁹F NMR	A.C.^a CHX
12a-1 (CHCl)	D^b	U^c	N/A	S
12a-2 (CHCl)	U	D	N/A	R
12b-1 (CHF)	D	U	D	S
12b-2 (CHF)	U	D	U	R

A.C. = absolute configuration;

D = downfield;

U = upfield. 12a-1/12a-2: P_α Δδ = 5.4 Hz, P_β Δδ = 8.5 Hz (202 MHz, pH 10.2); 12b-1/12b-2: P_α Δδ = 2.4 Hz, P_β Δδ = 5.3 Hz (162 MHz, pH 10.5); ¹⁹F Δδ = 22.6 Hz (376 MHz, pH 10.5). Δδ values are measured from the NMRs of the artificial mixtures.

Table 1. Relative 31P and 19F NMR chemical shifts and absolute configurations of β, γ-CHX dGTP diastereomer pairs.

Table 1. Relative ³¹P and ¹⁹F NMR chemical shifts and absolute configurations of β, γ-CHX dGTP diastereomer pairs.