Phytic acid dipotassium salt - 10mM in Water , CAS No.129832-03-7

CAS: 129832-03-7 Cat. No.: P421168 Molecular Weight: 736.22 PubChem CID: 22838972

GRADE & PURITY 10mM in Water

Synonyms

129832-03-7|Potassium (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl phosphate|Phytic acid dipotassium salt|PHYTIC ACID DIPOTASSIUM|Phytic acid (potassium)|INOSITOL HEXAPHOSPHORIC ACID DIPOTASSIUM SALT|dipotassium;[(2R,3R,5S,6R)-2,3,4,5,6-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

129832-03-7 | Potassium (1R, 2S, 3R, 4R, 5S, 6S)-2, 3, 4, 5, 6-pentakis(phosphonooxy)cyclohexyl phosphate | Phytic acid dipotassium salt | PHYTIC ACID DIPOTASSIUM | Phytic acid (potassium) | INOSITOL HEXAPHOSPHORIC ACID DIPOTASSIUM SALT | dipotassium;[(2R, 3R, 5S, 6R)-2, 3, 4, 5, 6-

Specifications & Purity

10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• 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.[K+].[K+]
• IUPAC Name: dipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphate
• InChIKey: LFTTXUFEVNNTHA-OKBOCSEJSA-L
• INCHI: 1S/C6H18O24P6.2K/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;2*+1/p-2/t1-,2-,3?,4?,5-,6+;;/m0../s1
• Isomeric SMILES: [C@H]1([C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)(O)O)OP(=O)(O)O.[K+].[K+]
• PubChem CID: 22838972
• Molecular Weight: 736.22

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: Monoalkyl phosphates Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Inositol phosphate - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Organic alkali metal salt - Organic oxide - Hydrocarbon derivative - Organic potassium salt - 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

• Molecular Weight: 736.220 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 11
• Exact Mass: 735.773 Da
• Monoisotopic Mass: 735.773 Da
• Topological Polar Surface Area: 406.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 975.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 3

XLogP3

References

1. Congcong Liu, Min Guo, Haijun Su, Peng Zhai, Keyu Xie, Zhike Liu, Jun Zhang, Lin Liu, Hengzhi Fu.  (2022)  Highly improved efficiency and stability of planar perovskite solar cells via bifunctional phytic acid dipotassium anchored SnO2 electron transport layer.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.152943]