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myo-Inositol,hexakis(dihydrogen phosphate), hexazinc salt (9CI) (63903-51-5)

Identification
Name:myo-Inositol,hexakis(dihydrogen phosphate), hexazinc salt (9CI)
Synonyms:myo-Inositol, hexakis(dihydrogen phosphate), hexazinc salt;Phytic acid hexazinc salt;Hexazinc (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate;Zinc phytate;AC1LAYDG;CID498066;NSC 72166;
CAS:63903-51-5
Molecular Formula: C6H12O24P6Zn6
Molecular Weight: 1040.394
InChI: InChI=1/C6H18O24P6.6Zn/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
Molecular Structure: (C6H12O24P6Zn6) myo-Inositol, hexakis(dihydrogen phosphate), hexazinc salt;Phytic acid hexazinc salt;Hexazinc (2,3,4...
Properties
Density:2.42g/cm3
Specification:

The Zinc phytate, with the cas registry number 63903-51-5, has the systematic name of hexazinc cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate). It belongs to the following product categories: Dextrins; Sugar; Carbohydrates. And the molecular formula of the chemical is C6H6O24P6Zn6.

The characteristics of this chemical are as followings: (1)ACD/LogP: -8.47; (2)# of Rule of 5 Violations: 3 ; (3)#H bond acceptors: 24; (4)#H bond donors: 12; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 459.42 Å2; (7)Flash Point: 673.9 °C; (8)Enthalpy of Vaporization: 190.89 kJ/mol; (9)Boiling Point: 1190.7 °C at 760 mmHg; (10)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N[C@H](C)C(C)(C)C
(2)InChI: InChI=1/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m1/s1
(3)InChIKey: DXSUORGKJZADET-RXMQYKEDBE

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