1. Primary Information
| English name: | Pectic acid, sodium salt |
| CAS No.: | 9049-37-0 |
| Molecular formula: | C18H23NAO19-2 |
| Molecular weight: | 566.4 g/mol |
| SMILES: | C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)[O-])OC3C(C(C(OC3C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O.[Na+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | BR，75% | 144 | RT | in stock | - |
| Kehua Intelligence | 5g | BR，75% | 560 | RT | in stock | - |
| Kehua Intelligence | 25g | BR，75% | 1760 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxylato-6-[(2S,3R,4R,5R,6S)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
4.2 InChI
InChI=1S/C18H26O19.Na/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29;/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31);/q;+1/p-3/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17-,18-;/m0./s1
4.3 InChIKey
NUCACHWVTZGFJN-PYSZDIKSSA-K
4.4 Canonical SMILES
C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)[O-])OC3C(C(C(OC3C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O.[Na+]
4.5 Isomeric SMILES
[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)[O-])O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O.[Na+]
