1. Primary Information
| English name: | Sodium phytate |
| CAS No.: | 14306-25-3 |
| Molecular formula: | C6H6NA12O24P6 |
| Molecular weight: | 923.82 g/mol |
| SMILES: | C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
Acid, Phytic Calcium Phytate Hexakisphosphate, Inositol Hexaphosphate, Inositol Inositol Hexakisphosphate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 86 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 高纯，98% | 88 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | 高纯，98% | 320 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5*500g | 高纯，98% | 1136 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
dodecasodium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
4.2 InChI
InChI=1S/C6H18O24P6.12Na/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;;;;;/q;12*+1/p-12
4.3 InChIKey
KETSPIPODMGOEJ-UHFFFAOYSA-B
4.4 Canonical SMILES
C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
4.5 Isomeric SMILES
-
