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L-Dibenzoyltartaric Acid
CAS: 2743-38-6 | C18H14O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2743-38-6
Molecular Formula:
C18H14O8
Molecular Mass:
358.30 g/mol
Names and Synonyms:
L-Dibenzoyltartaric Acid
Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-
Tartaric acid, dibenzoate, (-)-
Butanedioic acid, 2,3-bis(benzoyloxy)-, [R-(R*,R*)]-
Tartaric acid, dibenzoate
(2R,3R)-2,3-Bis(benzoyloxy)butanedioic acid
(-)-Dibenzoyltartaric acid
(-)-O,O′-Dibenzoyl-L-tartaric acid
L-Dibenzoyltartaric acid
O,O-Dibenzoyltartaric acid
L-(-)-Dibenzoyltartaric acid
Dibenzoyl-L-tartaric acid
(R,R)-2,3-Dibenzoyloxysuccinic acid
2,3-Di-O-benzoyl-L-tartaric acid
2,3-Dibenzoyl-L-tartaric acid
O,O-Dibenzoyl-(R,R)-tartaric acid
O2,O3-Dibenzoyl-L-tartaric acid
Dibenzoyl-(+)-tartaric acid
(-)-2,3-Dibenzoyl-L-tartaric acid
(-)-Dibenzoyl-L-tartaric acid
(-)-O,O′-Dibenzoyltartaric acid
(-)-L-Dibenzoyltartaric acid
(R,R)-O,O′-Dibenzoyltartaric acid
NSC 118224
NSC 338494
O,O′-Dibenzoyl-(R,R)-tartaric acid
(2R,3R)-2,3-Bis(benzoyloxy)succinic acid
(2R,3R)-Di-O-benzoyltartaric acid
(2R,3R)-O,O′-Dibenzoyltartaric acid
O,O′-Dibenzoyl-(2R,3R)-tartaric acid
O,O′-Dibenzoyl-(+)-tartaric acid
(L)-DBTA
O,O′-Dibenzoyltartaric acid
(2R,3R)-(-)-2,3-Bis[(phenylcarbonyl)oxy]butanedioic acid
O,O′-Dibenzoyl-L-tartaric acid
Identifiers:
SMILES:
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1
InChI:
InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1
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 | 358.30 g/mol | CAS Common Chemistry |
| 358.3020000000001 g/mol | RDKit | |
| 358.068867408 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(OC(=O)C=1C=CC=CC1)C(OC(=O)C=2C=CC=CC2)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YONLFQNRGZXBBF-ZIAGYGMSSA-N | CAS Common Chemistry |
| Name | L-Dibenzoyltartaric acid | CAS Common Chemistry |
| Heavy Atom Count | 26 | 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 | 1.6068 | RDKit |
| Molar Refractivity | 86.56260000000003 | RDKit |
