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(T-4)-Bis[2-(Hydroxy-Κo)Propanoato-Κo]Magnesium
CAS: 18917-93-6 | C6H10MgO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18917-93-6
Molecular Formula:
C6H10MgO6
Molecular Mass:
202.45 g/mol
Names and Synonyms:
(T-4)-Bis[2-(Hydroxy-Κo)Propanoato-Κo]Magnesium
Magnesium, bis[2-(hydroxy-κO)propanoato-κO]-, (T-4)-
Magnesium, bis(lactato)-
Magnesium lactate
Magnesium, bis(2-hydroxypropanoato-O1,O2)-, (T-4)-
Propanoic acid, 2-hydroxy-, magnesium complex
(T-4)-Bis[2-(hydroxy-κO)propanoato-κO]magnesium
Promagsan
Identifiers:
SMILES:
CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Mg+2]
InChI:
InChI=1S/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
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 | 202.45 g/mol | CAS Common Chemistry |
| 202.445 g/mol | RDKit | |
| 202.03277974000002 g/mol | RDKit | |
| Canonical SMILES | O=C1[O-][Mg+2]2([O-]C(=O)C([OH]2)C)[OH]C1C | CAS Common Chemistry |
| InChI | InChI=1S/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=OVGXLJDWSLQDRT-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | (T-4)-Bis[2-(hydroxy-κO)propanoato-κO]magnesium | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 120.72 Ų | RDKit |
| LogP | -4.146599999999998 | RDKit |
| Molar Refractivity | 39.1296 | RDKit |
