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D-Glutamine
CAS: 5959-95-5 | C5H10N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5959-95-5
Molecular Formula:
C5H10N2O3
Molecular Weight:
146.14600000000002 g/mol
Names and Synonyms:
D-Glutamine
D-Glutamine
(2R)-2-Amino-4-carbamoylbutanoic acid
(2R)-5-Amino-2-azaniumyl-5-oxopentanoate
(R)-2,5-Diamino-5-oxopentanoic acid
Glutamine, D-
Identifiers:
SMILES:
N=C(O)CC[C@@H](N)C(=O)O
InChI:
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.14600000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.06914218 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 107.39999999999999 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.28623000000000004 | RDKit |
| molecular_mass | 146.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C(N)CCC(=O)N None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=ZDXPYRJPNDTMRX-GSVOUGTGSA-N None | Legacy Database |
| cas-melting-point | 184-185 °C None | Legacy Database |
| cas-name | D-Glutamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.20069999999999 | RDKit |
