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Molecule
D-Lactide
CAS: 13076-17-0 · C6H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13076-17-0
- Molecular Formula
- C6H8O4
- Molecular Mass
- 144.13 g/mol
Identifiers
CAS Registry Number
13076-17-0
SMILES
C[C@H]1OC(=O)[C@@H](C)OC1=O
InChI Key
JJTUDXZGHPGLLC-QWWZWVQMSA-N
InChI
InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m1/s1
Names and Synonyms
- D-Lactide Common Name
- 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6R)- Synonym
- p-Dioxane-2,5-dione, 3,6-dimethyl-, D- Synonym
- 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R-cis)- Synonym
- (3R,6R)-3,6-Dimethyl-1,4-dioxane-2,5-dione Synonym
- D-Lactide Synonym
- D-(+)-Lactide Synonym
- DD-lactide Synonym
- 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,5R)- Synonym
- D,D-Dilactide Synonym
- D-Dilactide Synonym
- Purasorb D Synonym
- PuraLact D Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.13 g/mol | CAS Common Chemistry |
| 144.12599999999998 g/mol | RDKit | |
| 144.126 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(C(=O)OC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JJTUDXZGHPGLLC-QWWZWVQMSA-N | CAS Common Chemistry |
| Melting Point | 96.5-97.5 °C | CAS Common Chemistry |
| Name | D-Lactide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | -0.13660000000000005 | RDKit |
| -0.1366 | RDKit | |
| Molar Refractivity | 31.10799999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 144.042258736 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 |
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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 = 144.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8O4.
