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Molecule
(-)-Di-P-Toluoyl-L-Tartaric Acid
CAS: 32634-66-5 · C20H18O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 32634-66-5
- Molecular Formula
- C20H18O8
- Molecular Mass
- 386.36 g/mol
Identifiers
CAS Registry Number
32634-66-5
SMILES
Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1
InChI Key
CMIBUZBMZCBCAT-HZPDHXFCSA-N
InChI
InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m1/s1
Names and Synonyms
- (-)-Di-P-Toluoyl-L-Tartaric Acid Common Name
- Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)- Synonym
- Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [R-(R*,R*)]- Synonym
- (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid Synonym
- (-)-Di-O-p-toluoyl-L-tartaric acid Synonym
- (-)-O,O-Di-p-toluoyltartaric acid Synonym
- Di-p-Toluoyl-d-tartaric acid Synonym
- (-)-Di-p-toluoyltartaric acid Synonym
- (-)-Di-O,O′-p-toluoyltartaric acid Synonym
- Tartaric acid, di-p-toluate Synonym
- Di-p-toluoyl-L-tartaric acid Synonym
- (2R,3R)-(-)-Di(p-toluoyl)tartaric acid Synonym
- Di-4-toluoyl-L-tartaric acid Synonym
- L-Di-O,O′-p-toluyltartaric acid Synonym
- (R,R)-O,O′-Di-p-toluoyltartaric acid Synonym
- (-)-Di-p-toluoyl-L-tartaric acid Synonym
- (-)-Di-O,O' p-toluyltartaric acid Synonym
- O,O′-Di-p-toluoyl-(2R,3R)-tartaric acid Synonym
- L-Di-p-toluoyltartaric acid Synonym
- (-)-O,O′-Di-p-toluoyl-L-tartaric acid Synonym
- (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid Synonym
- L-(-)-DTTA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 386.36 g/mol | CAS Common Chemistry |
| 386.3560000000001 g/mol | RDKit | |
| 386.356 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C(=O)O)C(OC(=O)C1=CC=C(C=C1)C)C(=O)O)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CMIBUZBMZCBCAT-HZPDHXFCSA-N | CAS Common Chemistry |
| Melting Point | 146-147 °C @ Solvent: Acetone, Diethyl ether | CAS Common Chemistry |
| Name | (-)-Di-p-toluoyl-L-tartaric acid | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 127.2 Ų | RDKit |
| LogP | 2.2236400000000005 | RDKit |
| 2.2236 | RDKit | |
| Molar Refractivity | 96.03660000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 386.10016753599996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 386.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H18O8.
