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Molecule
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
Identifiers
CAS Registry Number
27348-32-9
SMILES
NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChI Key
CPYVQXAASIFAMD-KNIFDHDWSA-N
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
Names and Synonyms
- L-Aspartic Acid, Compd. With L-Lysine (1:1) Systematic Name
- L-Aspartic acid, compd. with L-lysine (1:1) Synonym
- Aspartic acid, L-, compd. with L-lysine (1:1) Synonym
- Lysine, L-, L-aspartate (1:1) Synonym
- L-Lysine, L-aspartate (1:1) Synonym
- L-Lysine-L-aspartate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.29 g/mol | CAS Common Chemistry |
| 279.293 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 |
| 189.96 Ų | RDKit | |
| LogP | -1.599699999999995 | RDKit |
| -1.5997 | RDKit | |
| Molar Refractivity | 66.38060000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 279.143035392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 279.29 g/mol; density = 1.410 g/mL. Edit any field — others recompute live.
