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Molecule
Guluronic Acid
CAS: 15769-56-9 · C6H10O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15769-56-9
- Molecular Formula
- C6H10O7
- Molecular Mass
- 194.14 g/mol
Identifiers
CAS Registry Number
15769-56-9
SMILES
O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O
InChI Key
IAJILQKETJEXLJ-LPBVRZIONA-N
InChI
InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3-,4+,5-/s2
Names and Synonyms
- Guluronic Acid Synonym
- Guluronic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.14 g/mol | CAS Common Chemistry |
| 194.13899999999998 g/mol | RDKit | |
| 194.139 g/mol | RDKit | |
| Canonical SMILES | O=CC(O)C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3-,4+,5-/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=IAJILQKETJEXLJ-LPBVRZIONA-N | CAS Common Chemistry |
| Name | Guluronic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 135.29 Ų | RDKit |
| LogP | -3.2865000000000006 | RDKit |
| -3.2865 | RDKit | |
| Molar Refractivity | 37.727 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 194.04265266000002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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 = 194.14 g/mol. Edit any field — others recompute live.
