Product Name

  • Name

    Zinc Phytate

  • EINECS
  • CAS No. 63903-51-5
  • Density 2.42 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H12O24P6Zn6
  • Boiling Point 1190.7 °C at 760 mmHg
  • Molecular Weight 1046.39
  • Flash Point 673.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 63903-51-5 (Zinc Phytate)
  • Hazard Symbols
  • 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;
  • PSA 493.38000
  • LogP 2.11080

Zinc phytate Specification

The Zinc phytate with CAS registry number of 63903-51-5 is also known as Phytic acid hexazinc salt. The IUPAC name is Hexazinc (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate. It belongs to product categories of Dextrins, Sugar & Carbohydrates. In addition, the formula is C6H12O24P6Zn6 and the molecular weight is 1046.39.

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.

You can still convert the following datas into molecular structure:
1. 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-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
2. InChI: InChI=1S/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
3. InChIKey: WYGJAFDJPBTRSB-UHFFFAOYSA-B

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