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14306-25-3

Basic Information
CAS No.: 14306-25-3
Name: myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt (1:?)
Molecular Structure:
Molecular Structure of 14306-25-3 (myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt (1:?))
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:
Melting Point:
Boiling Point: 1190.7oC at 760mmHg
Flash Point: 673.9oC
Solubility:
Appearance: White hygroscopic powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
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,

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