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Molecule
Carnitine Tartrate
CAS: 36687-82-8 · C11H20NO9-
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 36687-82-8
- Molecular Formula
- C11H20NO9-
- Molecular Mass
- 310.28 g/mol
Identifiers
CAS Registry Number
36687-82-8
SMILES
C[N+](C)(C)C[C@H](O)CC(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)O
InChI Key
RZALONVQKUWRRY-XOJLQXRJSA-M
InChI
InChI=1S/C7H15NO3.C4H6O6/c1-8(2,3)5-6(9)4-7(10)11;5-1(3(7)8)2(6)4(9)10/h6,9H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/p-1/t6-;1-,2-/m11/s1
Names and Synonyms
- Carnitine Tartrate Common Name
- 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, (2R)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) Synonym
- 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, (R)-, salt with [R-(R*,R*)]-2,3-dihydroxybutanedioic acid (2:1) Synonym
- 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, (2R)-, salt with (2R,3R)-2,3-dihydroxybutanedioic acid (2:1) Synonym
- Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, ion(2-), bis[(R)-3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium] Synonym
- Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, ion(2-), bis[(2R)-3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium] Synonym
- L-Carnitine tartrate Synonym
- Carnipure tartrate Synonym
- Levocarnitine tartrate Synonym
- Carnitine tartrate Synonym
- L-Carnitine L-tartrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.28 g/mol | CAS Common Chemistry |
| 310.279 g/mol | RDKit | |
| Canonical SMILES | O=C([O-])C(O)C(O)C(=O)[O-].O=C(O)CC(O)C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO3.C4H6O6/c1-8(2,3)5-6(9)4-7(10)11;5-1(3(7)8)2(6)4(9)10/h6,9H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/p-1/t6-;1-,2-/m11/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RZALONVQKUWRRY-XOJLQXRJSA-M | CAS Common Chemistry |
| Name | Carnitine tartrate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 178.25 Ų | RDKit |
| 162.59 Ų | chempirical lib | |
| LogP | -5.263799999999995 | RDKit |
| -5.2638 | RDKit | |
| Molar Refractivity | 63.18660000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -1 | RDKit |
| Fraction Csp3 | 0.7273 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 310.11435479990996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| 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.
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MW = 310.28 g/mol. Edit any field — others recompute live.
