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Glucuronolactone
CAS: 32449-92-6 | C6H8O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 32449-92-6
- Molecular Formula
- C6H8O6
- Molecular Mass
- 176.12 g/mol
Identifiers
CAS Registry Number
32449-92-6
SMILES
O=C[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChI Key
UYUXSRADSPPKRZ-SKNVOMKLSA-N
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1
Names and Synonyms
- Glucuronolactone Common Name
- D-Glucuronic acid, γ-lactone Synonym
- Glucuronic acid, γ-lactone, D- Synonym
- Glucurone Synonym
- Glucuronolactone Synonym
- Glucurolactone Synonym
- D-Glucuronolactone Synonym
- D-Glucurono-γ-lactone Synonym
- D-Glucurono-6,3-lactone Synonym
- Glucuronic acid γ-lactone Synonym
- Glucoxy Synonym
- Guronsan Synonym
- Dicurone Synonym
- Glycurone Synonym
- Reulatt S.S. Synonym
- Glucuronosan Synonym
- D-Glucurono-3,6-lactone Synonym
- D-Glucuronic acid lactone Synonym
- D-Glucofuranurono-6,3-lactone Synonym
- Glucurono-6,3-lactone Synonym
- NSC 656 Synonym
- D-Glucuronic acid γ-lactone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.12 g/mol | CAS Common Chemistry |
| 176.12400000000002 g/mol | RDKit | |
| 176.124 g/mol | RDKit | |
| Density | 1.75 g/cm³ | CAS Common Chemistry |
| 1.75 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glucuronolactone | CAS Common Chemistry |
| Canonical SMILES | O=CC(O)C1OC(=O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UYUXSRADSPPKRZ-SKNVOMKLSA-N | CAS Common Chemistry |
| Melting Point | 177.5 °C | CAS Common Chemistry |
| Name | Glucuronolactone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 104.06 Ų | RDKit |
| LogP | -2.8066 | RDKit |
| Molar Refractivity | 33.9644 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 176.032087976 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.
External Resources
Related
Related molecules
Other compounds with formula C6H8O6.
