1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;(2S)-2,6-diaminohexanoate

2.1.2 InChI

InChI=1S/2C6H14N2O2.Ca/c2*7-4-2-1-3-5(8)6(9)10;/h2*5H,1-4,7-8H2,(H,9,10);/q;;+2/p-2/t2*5-;/m00./s1

2.1.3 InChI Key

IFJWCHSJEZRVMN-MDTVQASCSA-L

2.1.4 Canonical SMILES

C(CCN)CC(C(=O)[O-])N.C(CCN)CC(C(=O)[O-])N.[Ca+2]

2.1.5 Isomeric SMILES

C(CCN)C[C@@H](C(=O)[O-])N.C(CCN)C[C@@H](C(=O)[O-])N.[Ca+2]

2.2 Other Identifiers

2.2.1 UNII

TSU8363XHD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Calcium Lysinate

2. 6150-68-1

3. L-lysine Calcium Salt

4. Calcium;(2s)-2,6-diaminohexanoate

5. Tsu8363xhd

6. L-2,6-diaminocaproate

7. L-lysine, Calcium Salt(2:1)

8. L-lysine, Calcium Salt (2:1)

9. L-lysinecalciumsalt

10. Einecs 228-160-9

11. Calcium Bis-lysinate

12. Bis(l-lysine)calcium Salt

13. Unii-tsu8363xhd

14. Schembl121845

15. Dtxsid20210482

16. Calcium Di(l-lysinate) [who-dd]

2.4 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₆CaN₄O₄
Molecular Weight	330.44 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	330.1579962 g/mol
Monoisotopic Mass	330.1579962 g/mol
Topological Polar Surface Area	184 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	100
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Calcium Lysinate

Calcium Lysinate

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