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Molecule
D-Tartaric Acid
CAS: 147-71-7 · C4H6O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 147-71-7
- Molecular Formula
- C4H6O6
- Molecular Mass
- 150.09 g/mol
Identifiers
CAS Registry Number
147-71-7
SMILES
O=C(O)[C@@H](O)[C@H](O)C(=O)O
InChI Key
FEWJPZIEWOKRBE-LWMBPPNESA-N
InChI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
Names and Synonyms
- D-Tartaric Acid Common Name
- Butanedioic acid, 2,3-dihydroxy-, (2S,3S)- Synonym
- Tartaric acid, D-(-)- Synonym
- Butanedioic acid, 2,3-dihydroxy-, [S-(R*,R*)]- Synonym
- (2S,3S)-2,3-Dihydroxybutanedioic acid Synonym
- (-)-Tartaric acid Synonym
- D-(-)-Tartaric acid Synonym
- (S,S)-Tartaric acid Synonym
- (2S,3S)-(-)-Tartaric acid Synonym
- l-Tartaric acid Synonym
- (S,S)-(-)-Tartaric acid Synonym
- (2S,3S)-Tartaric acid Synonym
- D-Tartaric acid Synonym
- levo-Tartaric acid Synonym
- (2S,3S)-2,3-Dihydroxysuccinic acid Synonym
- (2S,3S)-Tartaric acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.09 g/mol | CAS Common Chemistry |
| 150.08599999999998 g/mol | RDKit | |
| 150.086 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FEWJPZIEWOKRBE-LWMBPPNESA-N | CAS Common Chemistry |
| Melting Point | 172.5 °C | CAS Common Chemistry |
| Name | D-Tartaric acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 115.06000000000002 Ų | RDKit |
| 115.06 Ų | RDKit | |
| LogP | -2.1226 | RDKit |
| Molar Refractivity | 27.285199999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 150.016437912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 150.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O6.
