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L-Aspartic Acid, Compd. With L-Lysine (1:1)
CAS: 27348-32-9 | C10H21N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27348-32-9
Molecular Formula:
C10H21N3O6
Molecular Mass:
279.29 g/mol
Names and Synonyms:
L-Aspartic Acid, Compd. With L-Lysine (1:1)
L-Aspartic acid, compd. with L-lysine (1:1)
Aspartic acid, L-, compd. with L-lysine (1:1)
Lysine, L-, L-aspartate (1:1)
L-Lysine, L-aspartate (1:1)
L-Lysine-L-aspartate
Identifiers:
SMILES:
NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChI:
InChI=1S/C6H14N2O2.C4H7NO4/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t5-;2-/m00/s1
Key Properties
Density
1.41 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.29 g/mol | CAS Common Chemistry |
| 279.293 g/mol | RDKit | |
| 279.143035392 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.412 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)CC(N)C(=O)O.O=C(O)C(N)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2O2.C4H7NO4/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t5-;2-/m00/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CPYVQXAASIFAMD-KNIFDHDWSA-N | CAS Common Chemistry |
| Name | L-Aspartic acid, compd. with L-lysine (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.95999999999998 Ų | RDKit |
| LogP | -1.599699999999995 | RDKit |
| Molar Refractivity | 66.38060000000002 | RDKit |
