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Molecule
Glucono Delta-Lactone
CAS: 90-80-2 · C6H10O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90-80-2
- Molecular Formula
- C6H10O6
- Molecular Mass
- 178.14 g/mol
Identifiers
CAS Registry Number
90-80-2
SMILES
O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Key
PHOQVHQSTUBQQK-SQOUGZDYSA-N
InChI
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
Names and Synonyms
- Glucono Delta-Lactone Synonym
- D-Gluconic acid, δ-lactone Synonym
- Gluconic acid, δ-lactone, D- Synonym
- Gluconic acid lactone Synonym
- Gluconic acid, lactone, D- Synonym
- D-Glucono-1,5-lactone Synonym
- D-Gluconic acid 1,5-lactone Synonym
- 1,5-Gluconolactone Synonym
- δ-Gluconolactone Synonym
- D-(+)-Gluconic acid δ-lactone Synonym
- D-Glucono-δ-lactone Synonym
- D-(+)-Glucono-δ-lactone Synonym
- D-Gluconic acid lactone Synonym
- Gluconolactone Synonym
- Fujiglucon Synonym
- E 575 Synonym
- D-(+)-Glucono-1,5-lactone Synonym
- Lysactone Synonym
- Riken Lactone Synonym
- D-(+)-Glucose δ-lactone Synonym
- Glucono-δ-lactone Synonym
- (3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one Synonym
- 1,5-D-Gluconolactone Synonym
- (3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.14 g/mol | CAS Common Chemistry |
| 178.14000000000001 g/mol | RDKit | |
| Density | 1.61 g/cm³ | CAS Common Chemistry |
| 1.610 g/cm3 @ -5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glucono_delta-lactone | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(CO)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PHOQVHQSTUBQQK-SQOUGZDYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | δ-Gluconolactone | CAS Common Chemistry |
| Glucono delta-lactone | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 107.22000000000001 Ų | RDKit |
| 107.22 Ų | RDKit | |
| LogP | -3.0132000000000008 | RDKit |
| -3.0132 | RDKit | |
| Molar Refractivity | 34.9862 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 178.04773804 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
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MW = 178.14 g/mol; density = 1.610 g/mL. Edit any field — others recompute live.
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