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Molecule
Sodium D-Glucuronate
CAS: 14984-34-0 · C6H10NaO7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14984-34-0
- Molecular Formula
- C6H10NaO7
- Molecular Mass
- 217.13 g/mol
Identifiers
CAS Registry Number
14984-34-0
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.[Na]
InChI Key
QKHMTHNLNZGTSP-JSCKKFHOSA-N
InChI
InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/t2-,3+,4-,5-;/m0./s1
Names and Synonyms
- Sodium D-Glucuronate Common Name
- D-Glucuronic acid, sodium salt (1:1) Synonym
- Glucuronic acid, monosodium salt, D- Synonym
- D-Glucuronic acid, monosodium salt Synonym
- Glucuronic acid, sodium salt Synonym
- Sodium glucuronate Synonym
- Sodium D-glucuronate Synonym
- D-Glucuronic acid sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.13 g/mol | CAS Common Chemistry |
| 217.129 g/mol | RDKit | |
| 218.137 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=CC(O)C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/t2-,3+,4-,5-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QKHMTHNLNZGTSP-JSCKKFHOSA-N | CAS Common Chemistry |
| Name | Sodium D-glucuronate | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | -3.6673000000000004 | RDKit |
| -3.6673 | RDKit | |
| Molar Refractivity | 43.48100000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 217.03242194 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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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 217.13 g/mol. Edit any field — others recompute live.
