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Gamma Oh
CAS: 502-85-2 | C4H8NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
502-85-2
Molecular Formula:
C4H8NaO3
Molecular Weight:
127.095 g/mol
Names and Synonyms:
Gamma Oh
Butanoic acid, 4-hydroxy-, sodium salt (1:1)
Butyric acid, 4-hydroxy-, monosodium salt
Butanoic acid, 4-hydroxy-, monosodium salt
4-Hydroxybutyrate sodium
γ-Hydroxybutyric acid sodium salt
SHB
Sodium γ-hydroxybutyrate
Sodium 4-hydroxybutyrate
Sodium oxybate
Oxybate sodium
Sodium hydroxybutyrate
Sodium γ-oxybutyrate
Gamma OH
Somsanit
γ-Hydroxybutyrate sodium
Wy 3478
γ-OH
Gam-OH
4 HB
4-Hydroxybutyric acid monosodium salt
NSC 84223
Somatomax PM
4-Hydroxybutyric acid sodium salt
NIH 10947
Xyrem
EB 27
DEA 2100
4-Hydroxybutanoic acid sodium salt
Alcover
Hopveus
Identifiers:
SMILES:
O=C(O)CCCO.[Na]
InChI:
InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);
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 | 127.095 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 127.03711339600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.5373000000000001 | RDKit |
| molecular_mass | 127.09 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(O)CCCO None | Legacy Database |
| cas-inchi | InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7); None | Legacy Database |
| cas-inchi-key | InChIKey=WFBCFGRDCIMEAM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Gamma OH None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.70959999999999 | RDKit |
