Zinc Phytate - Zn:27%-34% , CAS No.63903-51-5

CAS: 63903-51-5 Cat. No.: Z304250 Formula: C₆H₆O₂₄P₆Zn₆ Molecular Weight: 1040.28 PubChem CID: 498066

GRADE & PURITY Zn:27%-34%

Synonyms

hexazinc;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate | hexazinc (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate | Zinc phytate | Zinc Phytate; Zinc orientation | NSC72166 | FT-0698740 | AKOS040758822 | ZincPhytate | NSC 72166 | Myo-In

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

hexazinc;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate | hexazinc (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate | Zinc phytate | Zinc Phytate; Zinc orientation | NSC72166 | FT-0698740 | AKOS040758822 | ZincPhytate | NSC 72166 | Myo-In

Specifications & Purity

Zn:27%-34%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

504758949

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758949

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]

IUPAC Name

hexazinc;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate

InChIKey

WYGJAFDJPBTRSB-UHFFFAOYSA-B

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

Isomeric 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]

PubChem CID

498066

Molecular Weight

1040.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Cyclic alcohols and derivatives
          • Level6 Cyclitols and derivatives
            • Level7 Inositol phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Cyclic alcohols and derivatives - Cyclitols and derivatives
• Direct Parent: Inositol phosphates
• Alternative Parents: Alkyl phosphates Organic transition metal salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Inositol phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Organic transition metal salt - Organic oxide - Hydrocarbon derivative - Organic salt - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Almost insoluble in water, soluble in inorganic acids, ammonia, insoluble in ethanol, slightly corrosive
• Boil Point(°C): 1190.7ºC at 760 mmHg
• Molecular Weight: 1040.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 6
• Exact Mass: 1039.33 Da
• Monoisotopic Mass: 1031.34 Da
• Topological Polar Surface Area: 435.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 749.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 7

XLogP3

Frequently Asked Questions

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 63903-51-5, the molecular formula is C6H6O24P6Zn6, and the molecular weight is 1040.28 g/mol. InChIKey WYGJAFDJPBTRSB-UHFFFAOYSA-B.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.