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Molecule
(+)-Diacetyl-L-Tartaric Anhydride
CAS: 6283-74-5 · C8H8O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6283-74-5
- Molecular Formula
- C8H8O7
- Molecular Mass
- 216.14 g/mol
Identifiers
CAS Registry Number
6283-74-5
SMILES
CC(=O)O[C@H]1C(=O)OC(=O)[C@@H]1OC(C)=O
InChI Key
XAKITKDHDMPGPW-PHDIDXHHSA-N
InChI
InChI=1S/C8H8O7/c1-3(9)13-5-6(14-4(2)10)8(12)15-7(5)11/h5-6H,1-2H3/t5-,6-/m1/s1
Names and Synonyms
- (+)-Diacetyl-L-Tartaric Anhydride Synonym
- 2,5-Furandione, 3,4-bis(acetyloxy)dihydro-, (3R,4R)- Synonym
- Tartaric anhydride, diacetate Synonym
- 2,5-Furandione, 3,4-bis(acetyloxy)dihydro-, (3R-trans)- Synonym
- (3R,4R)-3,4-Bis(acetyloxy)dihydro-2,5-furandione Synonym
- Diacetyl-L-tartaric anhydride Synonym
- (+)-Diacetyl-L-tartaric anhydride Synonym
- L-Diacetyltartaric anhydride Synonym
- Diacetyltartaric anhydride Synonym
- Diacetyltartaric acid anhydride Synonym
- (R,R)-O,O-Diacetyltartaric acid anhydride Synonym
- O,O′-Diacetyl-L-tartaric anhydride Synonym
- (R,R)-2,3-Diacetoxy-1,4-butanedioic anhydride Synonym
- (R,R)-O,O-Diacetyltartaric anhydride Synonym
- NSC 7712 Synonym
- (2R,3R)-Di-O-acetyltartaric acid anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.14 g/mol | CAS Common Chemistry |
| 216.14499999999998 g/mol | RDKit | |
| 216.145 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1C(=O)OC(=O)C1OC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O7/c1-3(9)13-5-6(14-4(2)10)8(12)15-7(5)11/h5-6H,1-2H3/t5-,6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XAKITKDHDMPGPW-PHDIDXHHSA-N | CAS Common Chemistry |
| Melting Point | 134 °C | CAS Common Chemistry |
| Name | (+)-Diacetyl-L-tartaric anhydride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.97000000000003 Ų | RDKit |
| 95.97 Ų | RDKit | |
| LogP | -1.0668000000000002 | RDKit |
| -1.0668 | RDKit | |
| Molar Refractivity | 42.207000000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 216.02700259600002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 216.14 g/mol. Edit any field — others recompute live.
