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Molecule
Arginine Glutamate
CAS: 4320-30-3 · C11H23N5O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4320-30-3
- Molecular Formula
- C11H23N5O6
- Molecular Mass
- 321.33 g/mol
Identifiers
CAS Registry Number
4320-30-3
SMILES
N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChI Key
RVEWUBJVAHOGKA-WOYAITHZSA-N
InChI
InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;3-/m00/s1
Names and Synonyms
- Arginine Glutamate Synonym
- L-Glutamic acid, compd. with L-arginine (1:1) Synonym
- Glutamic acid, L-, compd. with L-arginine (1:1) Synonym
- Arginine, L-, salt with L-glutamic acid (1:1) Synonym
- Arginine, L-, L-glutamate (1:1) Synonym
- L-Arginine, L-glutamate (1:1) Synonym
- Arginine glutamate Synonym
- Modumate Synonym
- Glutargin Synonym
- Ginamate Synonym
- Argimate Synonym
- Glutepar Synonym
- Glutamic acid compd. with arginine Synonym
- NSC 122009 Synonym
- NSC 164937 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 321.33 g/mol | CAS Common Chemistry |
| 321.33400000000006 g/mol | RDKit | |
| 321.334 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(N)C(=O)O.O=C(O)C(N)CCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;3-/m00/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RVEWUBJVAHOGKA-WOYAITHZSA-N | CAS Common Chemistry |
| Name | Arginine glutamate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 225.83999999999997 Ų | RDKit |
| 225.84 Ų | RDKit | |
| 213.99 Ų | chempirical lib | |
| LogP | -2.0753299999999957 | RDKit |
| -2.0753 | RDKit | |
| Molar Refractivity | 77.24300000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6364 | RDKit |
| 0.64 | chempirical lib | |
| Exact Mass | 321.16483345599994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 321.33 g/mol. Edit any field — others recompute live.
