1. Primary Information
| English name: | CID 44630049 |
| CAS No.: | 9005-35-0 |
| Molecular formula: | C18H24CAO19 |
| Molecular weight: | 584.4 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.[Ca+2] |
| Structural class: | |
| Other identifiers: |
alginate Alginate, Barium Alginate, Calcium Alginate, Copper Alginate, Potassium |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100g | BR,97% | 83 | RT | in stock | - |
| Kehua Intelligence | 500g | BR,97% | 312 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
calcium;(2S,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-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.Ca/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;+2/p-2/t1-,2-,3+,4+,5-,6-,7-,8-,9-,10-,11+,12+,16+,17+,18+;/m0./s1
4.3 InChIKey
OKHHGHGGPDJQHR-YMOPUZKJSA-L
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.[Ca+2]
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.[Ca+2]
