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| CAS No.: | 5746-04-3 |
|---|---|
| Name: | NE-CARBOXYMETHYL-L-LYSINE |
| Molecular Structure: | |
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| Formula: | C8H16N2O4 |
| Molecular Weight: | 204.226 |
| Synonyms: | Lysine,N6-(carboxymethyl)-, L- (8CI);N6-(Carboxymethyl)lysine;Ne-(Carboxymethyl)lysine;e-(Carboxymethyl)lysine; |
| Density: | 1.255 g/cm3 |
| Melting Point: | 280 °C (dec.) |
| Boiling Point: | 428.9 °C at 760 mmHg |
| Flash Point: | 213.2 °C |
| Appearance: | Off-white solid |
| PSA: | 112.65000 |
| LogP: | 0.33400 |
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Specification
The N(6)-Carboxymethyllysine, with the CAS registry number 5746-04-3, is also known as L-Lysine, N6-(carboxymethyl)-. It belongs to the product categories of All Aliphatics; Aliphatics; Amino Acids & Derivatives. This chemical's molecular formula is C8H16N2O4 and molecular weight is 204.22364. Its IUPAC name is called (2S)-2-amino-6-(carboxymethylamino)hexanoic acid. What's more, this chemical is a stable, nonenzymatic chemical modifications of protein lysine residues resulting from glycation and oxidation reactions.
Physical properties of N(6)-Carboxymethyllysine: (1)ACD/LogP: -1.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.67; (4)ACD/LogD (pH 7.4): -3.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 49.32 cm3; (14)Molar Volume: 162.7 cm3; (15)Surface Tension: 57.6 dyne/cm; (16)Density: 1.255 g/cm3; (17)Flash Point: 213.2 °C; (18)Enthalpy of Vaporization: 75.02 kJ/mol; (19)Boiling Point: 428.9 °C at 760 mmHg; (20)Vapour Pressure: 1.47E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCNCC(=O)O)CC(C(=O)O)N
(2)Isomeric SMILES: C(CCNCC(=O)O)C[C@@H](C(=O)O)N
(3)InChI: InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
(4)InChIKey: NUXSIDPKKIEIMI-LURJTMIESA-N