Showing Metabocard for cis-4-hydroxy-D-proline betaine (BASm0007408)
| Common Name | Cis-4-hydroxy-d-proline betaine |
|---|---|
| Description | Turicine is a constituent of Canavalia ensiformis (jack bean) |
| Structure | |
| Molecular Formula | C7H13NO3 |
| Average Mass | 159.18300 |
| Monoisotopic Mass | 159.08954 |
| IUPAC Name | (2R,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate |
| Traditional Name | (2r,4r)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate |
| CAS Registry Number | 515-24-2 |
| SMILES | C[N+]1(C)C[C@H](O)C[C@@H]1C(=O)[O-] |
| InChI Identifier | InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6-/m1/s1 |
| InChI Key | MUNWAHDYFVYIKH-PHDIDXHHSA-N |
| CHEBI ID | CHEBI:85534 |
| HMDB ID | HMDB0029409 |
| State | Not Available |
| Water Solubility | 1.22e+01 g/l |
| logP | -1.54 |
| logS | -1.24 |
| pKa (Strongest Acidic) | 2.06 |
| pKa (Strongest Basic) | -3.56 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 60.36 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 61.43 m³·mol⁻¹ |
| Polarizability | 15.82 |