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Phytic acid dodecasodium salt hydrate

CAT: 0013-GTR19174516-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174516-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This compound, the dodecasodium salt hydrate of phytic acid, serves as the primary phosphorus reservoir in seeds and grains. It acts as a xanthine oxidase inhibitor (IC50 = 6 mM) and demonstrates antioxidative, neuroprotective, and anti-inflammatory properties in research, supporting its use in biochemical and physiological studies both in vitro and in vivo.
CAS Number
123408-98-0
Product Name Alternative
Inhibitor, Inositol hexaphosphate dodecasodium, Inositol hexaphosphate dodecasodium Hydrate, Inositol hexaphosphate dodecasodium salt hydrate, EndogenousMetabolite, myo-Inositol, hexakis (dihydrogen phosphate) dodecasodium salt hydrate, inhibit, Endogenous Metabolite, Phytic acid dodecasodium, Phytic acid dodecasodium Hydrate, Phytic acid dodecasodium salt hydrate, Xanthine oxidase, Xanthine Oxidase, XanthineOxidase
Field of Research
Metabolism Research
Purity
≥98% (May vary between batches)
Solubility
H2O:250 mg/mL (356.62 mM)
Smiles
O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P ([O-]) (=O) O[C@H]1[C@H] (OP ([O-]) ([O-]) =O) [C@@H] (OP ([O-]) ([O-]) =O) [C@H] (OP ([O-]) ([O-]) =O) [C@H] (OP ([O-]) ([O-]) =O) [C@@H]1OP ([O-]) ([O-]) =O
Molecular Formula
C6H20NaO25P6
Molecular Weight
701.033
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)--water (12/1/1)
CAS Number123408-98-0
PubChem CID56845531
IUPAC Namedodecasodium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate;hydrate
Molecular FormulaC6H8Na12O25P6
Molecular Weight941.83
Topological Polar Surface Area436
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count25
Rotatable Bond Count6
Heavy Atom Count49
Formal Charge0
Complexity749
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-].O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C6H18O24P6.12Na.H2O/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);;;;;;;;;;;;;1H2/q;12*+1;/p-12
InChIKey
IHFMYFHNGBHKCG-UHFFFAOYSA-B
Chemical Structure
2D Structure
2D structure of Sodium cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)--water (12/1/1)
CAS: 123408-98-0
CID: 56845531
Formula: C6H8Na12O25P6
MW: 941.83
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight941.83
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count25
Rotatable Bond Count6
Exact Mass941.6552691
Monoisotopic Mass941.6552691
Topological Polar Surface Area436 Ų
Heavy Atom Count49
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count14
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-P398713-5GPhytic Acid Dodecasodium Salt Hydrate
HY-N0814APhytic acid (dodecasodium hydrate)
P4079-62-01Phytic Acid, Dodecasodium Salt
289054-01Phytic Acid, Dodecasodium Salt discontinued. See P4079-62
FG23657-01Gentisic acid sodium salt hydrate
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40200091-1Bicinchoninic Acid Disodium Salt Hydrate
268634-01Clodronic acid, disodium salt, hydrate
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