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Hexasodium phytate

CAT: 0013-GTR19197536-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197536-01Size:500 µg
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Description
Hexasodium phytate is a research compound investigated for its potential to inhibit pathological calcification. It is utilized in in vitro and in vivo studies related to vascular calcification and calciphylaxis, exploring its mechanism as a calcium chelator in biomedical research.
CAS Number
34367-89-0
Field of Research
Metabolism Research
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
Storage Conditions
-20°C
Notes
For research use only.

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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