| Phytochemical Name : Calcium (S)-2-amino-3-carboxypropanoate |
| PCNDIDC0012 |
| Pubchem CID : 13828960 |
| Molecular formula: C8H12CaN2O8 |
| Canonical SMILES : C(C(C(=O)[O-])N)C(=O)O.C(C(C(=O)[O-])N)C(=O)O.[Ca+2] |
Synonymes : Calcium (S)-2-amino-3-carboxypropanoate|39162-75-9|calcium;(2S)-2-amino-4-hydroxy-4-oxobutanoate|21059-46-1|C4H7NO4.1/2Ca|C4-H7-N-O4.1/2Ca|SCHEMBL120544|Calcium(S)-2-amino-3-carboxypropanoate(1:x)|Calcium (S)-2-amino-3-carboxypropanoate(1:x) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -39.300 |
| Log Po/w (XLOGP3) : -7.760 |
| Log Po/w (WLOGP) : -4.920 |
| Log Po/w (MLOGP) : -6.840 |
| Log Po/w (SILICOS-IT) : -1.490 |
| Consensus Log Po/w : -12.060 |