Hetero- and homonuclear coupling constant calculation

Karplus-type equations are frequently used to relate vicinal coupling constants, i. e. ³J, to torsion angles. Most often proton-proton couplings are used but there are many other scalar couplings that are useful in conformtional analyses. Here is a collection of Karplus equations useful for carbohydrates, nucleotides and peptides.
Select a suitable equation from the list below and you will be taken to a page where you can view the corresponding Kaplus curve and calculate coupling constants or torsion angles.

³J_COCH	C^ano-O-C-H or C-O-C^ano-H fragment in glycosides
	B. Mulloy et al. Carbohydr. Res. 184 (1988) 39-46
	I. Tvaroska et al. Carbohydr. Res. 189 (1989) 359-362
	F. Cloran et al. J. Am. Chem. Soc. 121 (1999) 9843-9851
	C-O-C-H in methyl ethers
	Anderson et al. J. Chem. Soc., Perkin 2 (1994) 1965-1967
³J_CSCH	C^ano-S-C-H or C-S-C^ano-H fragment in thioglycosides
	I. Tvaroska et al. Carbohydr. Res. 229 (1992) 225-231
³J_COCC	C^ano-O-C-C or C-O-C^ano-C fragment in glycosides
	B. Bose et al. J. Am. Chem. Soc. 120 (1998) 11158-11173
	Q. Xu and A. Bush Carbohydr. Res. 306 (1998) 335-339
	M.J. Milton et al. Glycobiology 8 (1998) 147-153
	F. Cloran et al. J. Am. Chem. Soc. 121 (1999) 9843-9851
³J_CCCH	Hydrocarbons
	R. Aydin and H. Günther Mag. Reson. Chem. 28 (1990) 448-457
	A. de Marco et al. Biochemistry 18 (1979) 3846-3854
³J_POCH	Nucleotides
	P.P. Lankhorst et al. J. Biomol. Struct. Dyn. 1 (1984) 1387-1405
	H. Paulsen and W. Greve Chem. Berichte 106 (1973) 2124-2139
	C.H. Lee and R.H. Sarma J. Am. Chem. Soc. 98 (1976) 3541-3548
³J_CCOP	Nucleotides
	P.P. Lankhorst et al. J. Biomol. Struct. Dyn. 1 (1984) 1387-1405
³J_HNCH	H-N-C_i^α-H_i^α in peptides
	S. Ludvigsen et al. J. Mol. Biol. 217 (1991) 731-736
	A. Pardi et al. J. Mol. Biol. 180 (1985) 741-751
	V.F. Bystrov Prog. NMR Spectrosc. 10 (1976) 41-81
³J_CNCH	C'_i-1-N-C_i^α-H_i^α in peptides
	L.-F. Kao and M. Barfield J. Am. Chem. Soc. 107 (1985) 2323-2330
	F. Löhr et al. J. Biomol. NMR 10 (1997) 107-118
³J_CNCC	C'_i-1-N-C_i^α-C_i^β in peptides
	L.-F. Kao and M. Barfield J. Am. Chem. Soc. 107 (1985) 2323-2330
	F. Löhr et al. J. Biomol. NMR 10 (1997) 107-118
	C'_i-1-N-C_i^α-C'_i in peptides
	F. Löhr et al. J. Biomol. NMR 10 (1997) 107-118
³J_HCOH	Alcohols
	R.R. Fraser et al. Can. J. Chem. 47 (1969) 403-409
	Zhao et al. J. Org. Chem. 72 (2007) 7071-7082
³J_NCCH	in amino and amido sugars
	B. Coxon Carbohydr. Res. 342 (2007) 1044-1054