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Phytic acid dipotassium salt - 80%, high purity , CAS No.129832-03-7
Basic Description
Synonyms
Phytic acid (potassium) | SCHEMBL1658128 | PD054428 | J-521537 | dipotassium;[(2R,3R,5S,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphate | AKOS016010223 | Inositol hexakisphosphate dipotassium salt | Fytic Acid dipotassium salt | Potassium (1R,2S,3R,4
Specifications & Purity
≥80%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
504769314
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769314
IUPAC Name
dipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphate
INCHI
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
InChIKey
LFTTXUFEVNNTHA-OKBOCSEJSA-L
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+]
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
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
736.220 g/mol
XLogP3
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
Citations of This Product
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1 Citations
G1922306