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| CAS No.: | 31377-05-6 |
|---|---|
| Name: | CALCIUM PIDOLATE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H12CaN2O6 |
| Molecular Weight: | 296.293 |
| Synonyms: | Proline,5-oxo-, calcium salt (2:1), L- (8CI);5-Oxo-L-proline calcium salt;Calciumpidolate;Efical;Pidolic acid calcium salt (2:1);calcium bis[(2S)-5-oxopyrrolidine-2-carboxylate];L-proline, 5-oxo-, calcium salt (2:1); |
| EINECS: | 250-602-4 |
| Density: | 0.001g/cm3 at 20℃ |
| Boiling Point: | 453.1oC at 760 mmHg |
| Flash Point: | 227.8oC |
| Appearance: | White crystalline powder |
| PSA: | 110.80000 |
| LogP: | -0.79740 |
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Specification
The L-Proline, 5-oxo-,calcium salt (2:1), with the CAS registry number 31377-05-6 and EINECS registry number 250-602-4, has the systematic name of calcium bis[(2S)-5-oxopyrrolidine-2-carboxylate]. And the molecular formula of the chemical is C10H12CaN2O6.
The characteristics of L-Proline, 5-oxo-,calcium salt (2:1) are as followings: (1)#H bond acceptors: 8; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 138.46 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]1CCC(=O)N1
(2)InChI: InChI=1/2C5H7NO3.Ca/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1
(3)InChIKey: YQFZERWESBDNRJ-GWBJQCFQBX