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Poly(L-Glutamic Acid)
CAS: 25513-46-6 | C5H9NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25513-46-6
Molecular Formula:
C5H9NO4
Molecular Mass:
147.13 g/mol
Names and Synonyms:
Poly(L-Glutamic Acid)
L-Glutamic acid, homopolymer
Glutamic acid, L-, peptides
L-Glutamic acid polymer
Poly(L-glutamic acid)
Glutamic acid polymer
Polyglutamic acid
PGA
α-L-Glutamic acid polymer
Poly(α-L-glutamic acid)
Poly-L-glutamate
Glutamic acid homopolymer
γ-L-Polyglutamic acid
γ-Poly(L-glutamic acid)
Identifiers:
SMILES:
N[C@@H](CCC(=O)O)C(=O)O
InChI:
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.13 g/mol | CAS Common Chemistry |
| 147.053157768 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(N)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WHUUTDBJXJRKMK-VKHMYHEASA-N | CAS Common Chemistry |
| Name | Poly(L-glutamic acid) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.62000000000002 Ų | RDKit |
| LogP | -0.7368999999999997 | RDKit |
| Molar Refractivity | 32.480999999999995 | RDKit |
