myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), calcium salt (1:6) supplier

Name
PHYTIN
EINECS 231-897-9
CAS No. 7776-28-5
Article Data1
CAS DataBase
Density
Solubility Soluble in hydrochloric acid, nitric acid, sulfuric acid, insoluble in water and alkali
Melting Point
Formula C₆H₆Ca₆O₂₄P₆
Boiling Point 1190.7ºC at 760 mmHg
Molecular Weight 888.41
Flash Point 673.9ºC
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Inositol,hexakis(dihydrogen phosphate), calcium salt (1:6), myo- (8CI);myo-Inositol,hexakis(dihydrogen phosphate), calcium salt (1:6) (9CI);Calcium phytate;Ferronif;Inositol hexaphosphate calcium salt;Phytex;
PSA 493.38000
LogP 2.12580

myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), calcium salt (1:6) Specification

The IUPAC name of myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), calcium salt (1:6) is hexacalcium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate. With the CAS registry number 7776-28-5, it is also named as Calcium phytate. It is white powder which is soluble in hydrochloric acid, nitric acid, sulfuric acid, insoluble in water and alkali.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 24; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 327.42 ?2; (5)Rotatable Bond Count: 6; (6)Exact Mass: 887.543017; (7)MonoIsotopic Mass: 887.543017; (8)Topological Polar Surface Area: 435; (9)Heavy Atom Count: 42; (10)Formal Charge: 0; (11)Complexity: 749; (12)Covalently-Bonded Unit Count: 7.

Uses of myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), calcium salt (1:6): It is used as nutritional medicine which can promote metabolism, increase appetite and nutrition and so on. This cehmical is also used as raw materials in the production of inositol. Additionally, it is mainly used in food, oil, pharmaceutical and feed industries.

People can use the following data to convert to the molecule structure.
1. SMILES:O=P1(O[Ca]O1)OC7C(OP2(=O)O[Ca]O2)C(OP3(=O)O[Ca]O3)C(OP4(=O)O[Ca]O4)C(OP5(=O)O[Ca]O5)C7OP6(=O)O[Ca]O6
2. InChI:InChI=1/C6H18O24P6.6Ca/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;6*+2/p-12/rC6H6Ca6O24P6/c13-37(25-7-26-37)19-1-2(20-38(14)27-8-28-38)4(22-40(16)31-10-32-40)6(24-42(18)35-12-36-42)5(23-41(17)33-11-34-41)3(1)21-39(15)29-9-30-39/h1-6H

Product Name

PHYTIN

myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), calcium salt (1:6) Specification

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