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| CAS No.: | 14306-25-3 |
|---|---|
| Name: | Sodium phytate |
| Molecular Structure: | |
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| Formula: | C6H18O24P6.xNa |
| Molecular Weight: | 923.81700 |
| Synonyms: | Inositol,hexakis(dihydrogen phosphate) sodium salt, myo- (8CI);myo-Inositol,hexakis(dihydrogen phosphate), sodium salt (9CI);Inositol hexaphosphate sodiumsalt;Phytic acid sodium salt;Sodium inositol hexaphosphate; |
| EINECS: | 238-242-6 |
| Density: | 2.04[at 20℃] |
| Boiling Point: | 1190.7oC at 760mmHg |
| Flash Point: | 673.9oC |
| Solubility: | 1189.92g/L at 20℃ |
| Appearance: | White hygroscopic powder |
| PSA: | 493.38000 |
| LogP: | 2.12580 |
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Specification
The IUPAC name of Myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt (1:?) is sodium (2,3,4,5,6-pentaphosphonooxycyclohexyl) hydrogen phosphate. With the CAS registry number 14306-25-3, it is also named as Inositol hexaphosphate sodium salt. The product's categorie is Dextrins, Sugar & Carbohydrates. It is white hygroscopic powder which is soluble in water.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 11; (2)H-Bond Acceptor: 24; (3)Rotatable Bond Count: 12; (4)Exact Mass: 681.843315; (5)MonoIsotopic Mass: 681.843315; (6)Topological Polar Surface Area: 403; (7)Heavy Atom Count: 37; (8)Formal Charge: 0; (9)Complexity: 1000; (10)Undefined Atom StereoCenter Count: 4; (11)Covalently-Bonded Unit Count: 2.
Uses of Myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt (1:?): It is an additive in the field of foods, feeds, cosmetics and pharmaceuticals. And it is also used as an antioxidant, stabilizer, contrast agent, developing agent, fermentation promoter, water treatment agent, anti-rust anti-corrosion agent for metals, coating additive and chelating agent for removal of metal ions.
People can use the following data to convert to the molecule structure.
1. Smiles:P(OC1[C@@H]([C@@H](C(OP(O)(=O)[O-])[C@@H]([C@@H]1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O)(O)=O.[Na+]
2. InChI:InChI=1/C6H18O24P6.Na/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;+1/p-1
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | intraperitoneal | 400mg/kg (400mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
| guinea pig | LDLo | subcutaneous | 4gm/kg (4000mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
| mouse | LD50 | intraperitoneal | 83mg/kg (83mg/kg) | Pharmaceutical Sciences. Vol. 1, Pg. 311, 1995. | |
| rabbit | LDLo | intravenous | 23mg/kg (23mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
| rabbit | LDLo | subcutaneous | 1400mg/kg (1400mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
| rat | LD50 | intraperitoneal | 195mg/kg (195mg/kg) | French Demande Patent Document. Vol. #2515042, |