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| CAS No.: | 10389-09-0 |
|---|---|
| Name: | ASPARTATE CALCIUM |
| Molecular Structure: | |
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| Formula: | C4H5CaNO4 |
| Molecular Weight: | 171.17 |
| Synonyms: | Calcium aspartate;Asparticacid, calcium salt (1:1), L- (8CI); |
| PSA: | 78.62000 |
| LogP: | -0.58090 |
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Specification
The L-Aspartic acid,calcium salt (1:1), with the CAS registry number 10389-09-0, is also known as Calcium aspartate anhydrous. This chemical's molecular formula is C4H5CaNO4 and molecular weight is 171.17. Its systematic name is called calcium (2S)-2-aminobutanedioate.
Physical properties of L-Aspartic acid,calcium salt (1:1): (1)ACD/LogP: -0.67; (2)ACD/LogD (pH 5.5): -4.1; (3)ACD/LogD (pH 7.4): -4.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 113.5 °C; (12)Enthalpy of Vaporization: 55.26 kJ/mol; (13)Boiling Point: 264.1 °C at 760 mmHg; (14)Vapour Pressure: 0.00289 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)C[C@H](N)C([O-])=O
(2)InChI: InChI=1/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2/t2-;/m0./s1
(3)InChIKey: OPSXJNAGCGVGOG-FJVKPVJIBB