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Gluconic Acid
CAS: 526-95-4 | C6H12O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
526-95-4
Molecular Formula:
C6H12O7
Molecular Mass:
196.16 g/mol
Names and Synonyms:
Gluconic Acid
D-Gluconic acid
Gluconic acid, D-
Gluconic acid
Maltonic acid
Dextronic acid
Glyconic acid
Glycogenic acid
Pentahydroxycaproic acid
NSC 77381
Gluconal GA-50
Sour Oligo
Identifiers:
SMILES:
O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI:
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
Key Properties
Melting Point
131 °C
CAS Common Chemistry
Density
1.24 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.16 g/mol | CAS Common Chemistry |
| 196.155 g/mol | RDKit | |
| 196.058302724 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.24 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gluconic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(O)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RGHNJXZEOKUKBD-SQOUGZDYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | Gluconic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 138.45000000000002 Ų | RDKit |
| LogP | -3.4931000000000005 | RDKit |
| Molar Refractivity | 38.7488 | RDKit |
