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Molecule
Zinc Lactate
CAS: 16039-53-5 · C6H10O6Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16039-53-5
- Molecular Formula
- C6H10O6Zn
- Molecular Mass
- 243.53 g/mol
Identifiers
CAS Registry Number
16039-53-5
SMILES
CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Zn+2]
InChI Key
CANRESZKMUPMAE-UHFFFAOYSA-L
InChI
InChI=1S/2C3H6O3.Zn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
Names and Synonyms
- Zinc Lactate Synonym
- Zinc, bis[2-(hydroxy-κO)propanoato-κO]-, (T-4)- Synonym
- Zinc, bis(lactato)- Synonym
- Zinc lactate Synonym
- Zinc, bis(2-hydroxypropanoato-O1,O2)-, (T-4)- Synonym
- Propanoic acid, 2-hydroxy-, zinc complex Synonym
- (T-4)-Bis[2-(hydroxy-κO)propanoato-κO]zinc Synonym
- Zinc di(2-hydroxypropionate) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 243.53 g/mol | CAS Common Chemistry |
| 243.52999999999997 g/mol | RDKit | |
| 247.552 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zinc_lactate | CAS Common Chemistry |
| Canonical SMILES | O=C1[O-][Zn+2]2([O-]C(=O)C([OH]2)C)[OH]C1C | CAS Common Chemistry |
| InChI | InChI=1S/2C3H6O3.Zn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=CANRESZKMUPMAE-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Zinc lactate | 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 | -3.7682999999999995 | RDKit |
| -3.7683 | RDKit | |
| Molar Refractivity | 33.375599999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 241.97688024 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 243.53 g/mol. Edit any field — others recompute live.
