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Hexasodium phytate

CAT: 0931-T27538-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T27538-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34367-89-0
Target
Others, Xanthine Oxidase, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Hexasodium phytate is used potentially to treat vascular calcification and calciphylaxis.
Smiles
[Na].[Na].[Na].[Na].[Na].[Na].OP(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
C6H12Na6O24P6
Molecular Weight
791.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Snf472

the hexasodium salt of phytate

CAS Number34367-89-0
PubChem CID91667962
IUPAC Namehexasodium;[2,3,4,5,6-pentakis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate
Molecular FormulaC6H12Na6O24P6
Molecular Weight791.93
Topological Polar Surface Area418
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count24
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity804
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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C6H18O24P6.6Na/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*+1/p-6
InChIKey
DHZIAGCFFSRULK-UHFFFAOYSA-H
Chemical Structure
2D Structure
2D structure of Snf472
CAS: 34367-89-0
CID: 91667962
Formula: C6H12Na6O24P6
MW: 791.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight791.93
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count24
Rotatable Bond Count12
Exact Mass791.7530389
Monoisotopic Mass791.7530389
Topological Polar Surface Area418 Ų
Heavy Atom Count42
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19197536-01Hexasodium phytate
IN11875-01Zinc Phytate
P9350-01Calcium Phytate
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GTR19178940-01NF023 hexasodium
HY-108676NF023 (hexasodium)
FP146295-01Phytate 1-phosphatase
GTR19158105-01Sodium phytate hydrate
FC12183-01Calcium-magnesium phytate

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