Stockholm University Ke3690 - Bioorganisk strukturanalys Organic Chemistry
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Kursbeskrivning Schema Masspektrometri NMR Molekylmekanik Laborationer
To calculate a coupling constant for a given dihedral angle (θ) simply change the value in the form. To change the equation either type in the new coefficients or select a Karplus equation from the list below. You may have to press the calculate-button after changes in the text fields to re-calculate. This form does not require a network connection to work - just save it on your desktop and run it from there.

dihedral, θ (deg)= 3J=
J= cos2(θ)- cos(θ)+
3JCOCH  Canomer-O-C-H or C-O-Canomer-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
3JCSCH Canomer-S-C-H or C-S-Canomer-H fragment in thioglycosides
I. Tvaroska et al. Carbohydr. Res. 229 (1992) 225-231
3JCOCC  Canomer-O-C-C or C-O-Canomer-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
3JCCCH  Hydrocarbons
R. Aydin and H. Günther Mag. Reson. Chem. 28 (1990) 448-457
A. de Marco et al. Biochemistry 18 (1979) 3846-3854
3JPOCH  Nucleotides
Lankhorst et al. J. Biomol. Struct. Dyn. 1 (1984) 1387-1405
3JCCOP  Nucleotides
Lankhorst et al. J. Biomol. Struct. Dyn. 1 (1984) 1387-1405
3JHNCH  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
3JCNCH  C'i-1-N-Cia-Hia 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
3JCNCC  C'i-1-N-Cia-Cib 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-Cia-C'i in peptides
F. Löhr et al. J. Biomol. NMR 10 (1997) 107-118
3JHCOH  Alcohols
R.R. Fraser et al. Can. J. Chem. 47 (1969) 403-409
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