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Sodium D-Glucuronate
CAS: 14984-34-0 | C6H10NaO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14984-34-0
Molecular Formula:
C6H10NaO7
Molecular Mass:
217.13 g/mol
Names and Synonyms:
Sodium D-Glucuronate
D-Glucuronic acid, sodium salt (1:1)
Glucuronic acid, monosodium salt, D-
D-Glucuronic acid, monosodium salt
Glucuronic acid, sodium salt
Sodium glucuronate
Sodium D-glucuronate
D-Glucuronic acid sodium salt
Identifiers:
SMILES:
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.[Na]
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
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 | 217.13 g/mol | CAS Common Chemistry |
| 217.129 g/mol | RDKit | |
| 217.03242194 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 43.48100000000001 | RDKit |
