Prediction of optical rotations of l-amino acids in their protonated forms. Note: cysteine: no σp on –CH2SH, but it should be <0 (–CH2OH); lysine: no σp on –(CH2)4NH3+, –(CH2)3N+(Me)3 (−0.01) was used instead; methionine: no σp on –CH2CH2SCH3. It will be close to –CH2CH2CH3 (−0.15); tryptophan: no σp on the –CH2-ring. It will be close to –CH2CH CH2 (−0.14); glutamine: no σp for CH2CH2CONH2. It will be close to CH2CH2COOH (−0.07); histidine: no σp on –CH2-ring. It will be close to –CH2CH CH2 (−0.14).
| l-Alanine (+13) | l-Arginine (+21.6) | l-Asparagine (+34) | l-Aspartic acid (+24.4) | l-Cysteine (+7.9) |
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| l-Glutamine (+6.5) | l-Glutamic acid (+31.5) | Glycine (not chiral) | l-Histidine (+13) | l-Isoleucine (+51.8) two chiral centers |
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| l-Leucine (+14.9) | l-Lysine (+20.5) | l-Methionine (22.8) | l-Phenylalanine (−7.4) | l-Proline (−69) |
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| l-Serine (+15.9) | l-Threonine (−17.9) | l-Tryptophan (+13) | l-Tyrosine (−10.1) | l-Valine (+26.9) |
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Two chiral centers |
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