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Ornithine Aspartate
CAS: 3230-94-2 | C9H19N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3230-94-2
Molecular Formula:
C9H19N3O6
Molecular Mass:
265.27 g/mol
Names and Synonyms:
Ornithine Aspartate
L-Aspartic acid, compd. with L-ornithine (1:1)
Aspartic acid, L-, compd. with L-ornithine (1:1)
Ornithine, L-, L-aspartate (1:1)
L-Ornithine, L-aspartate (1:1)
Ornithine aspartate
Hepamerz
L-Ornithine L-aspartate
Ormeta
Orparan
Aspartic acid compd. with ornithine
Ruigan
Identifiers:
SMILES:
NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
InChI:
InChI=1S/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1
Key Properties
Melting Point
215 °C (decomp)
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 | 265.27 g/mol | CAS Common Chemistry |
| 265.26599999999996 g/mol | RDKit | |
| 265.127385328 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(N)C(=O)O.O=C(O)C(N)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IXUZXIMQZIMPSQ-ZBRNBAAYSA-N | CAS Common Chemistry |
| Melting Point | 215 °C (decomp) | CAS Common Chemistry |
| Name | Ornithine aspartate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.95999999999998 Ų | RDKit |
| LogP | -1.9897999999999954 | RDKit |
| Molar Refractivity | 61.763600000000004 | RDKit |
