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Phytic acid dipotassium salt

CAT: 1568-C09311-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C09311-25mgSize:25 mg
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CAS Number
129832-03-7
Synonyms
Phytic acid potassium, IP6 (PS)
Target
BACE
Applications
Neuronal Signaling
Smiles
[K+].[K+].O[P] (O) (=O) OC1C (O[P] (O) (O) =O) C (O[P] (O) (O) =O) C (O[P] ([O-]) ([O-]) =O) C (O[P] (O) (O) =O) C1O[P] (O) (O) =O
Molecular Formula
C6H16K2O24P6
Additionnal Information
Phytic acid dipotassium salt (Phytic acid potassium, IP6 (PS) ), an endogenous metabolite in rice grain extract and digest, inhibits β-secretase 1 (BACE1) with IC50 of approximately 0.25 μM.
Storage Conditions
3 years -20°C powder

Chemical Information

Potassium (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl phosphate
CAS Number129832-03-7
PubChem CID22838972
IUPAC Namedipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphate
Molecular FormulaC6H16K2O24P6
Molecular Weight736.22
Topological Polar Surface Area406
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count24
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity975
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+]
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
Chemical Structure
2D Structure
2D structure of Potassium (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl phosphate
CAS: 129832-03-7
CID: 22838972
Formula: C6H16K2O24P6
MW: 736.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight736.22
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count24
Rotatable Bond Count11
Exact Mass735.7731363
Monoisotopic Mass735.7731363
Topological Polar Surface Area406 Ų
Heavy Atom Count38
Formal Charge0
Complexity975
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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