Phytic acid - 10mM in Water , CAS No.83-86-3

CAS: 83-86-3 Cat. No.: P580486 Formula: C₆H₁₈O₂₄P₆ Molecular Weight: 660.04 Beilstein Registry Number: 2201952 EC Number: 201-506-6

GRADE & PURITY 10mM in Water

Synonyms

Fytic acid | hexasodium-phytate | 1D-myo-inositol hexakisphosphate | Dermofeel pa-3 | myo-inositol hexakisphosphate | A840671 | IMQLKJBTEOYOSI-UHFFFAOYSA-N | Q-201578 | SCHEMBL9164308 | Acido fitico [INN-Spanish] | Hexakis(dihydrogen phosphate) myo-inosit

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Phytic acid (Inositol hexaphosphate) is a phosphorus storage compound of seeds and cereal grains. Phytic acid is known as a food inhibitor, which has a strong ability to chelate multivalent metal ions, specially zinc, calcium, iron and as with protein residue. Phytic acid inhibits the enzymatic superoxide source xanthine oxidase (XO), and has antioxidative, neuroprotective, anti-inflammatory effects.

Specifications

Synonyms

Fytic acid | hexasodium-phytate | 1D-myo-inositol hexakisphosphate | Dermofeel pa-3 | myo-inositol hexakisphosphate | A840671 | IMQLKJBTEOYOSI-UHFFFAOYSA-N | Q-201578 | SCHEMBL9164308 | Acido fitico [INN-Spanish] | Hexakis(dihydrogen phosphate) myo-inosit

Specifications & Purity

10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528772258

Canonical 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

IUPAC Name

(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate

InChIKey

IMQLKJBTEOYOSI-UHFFFAOYSA-N

INCHI

1S/C6H18O24P6/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)

Isomeric 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

RTECS

NM7525000

Molecular Weight

660.04

Beilstein

2201952

Reaxy-Rn

8603247

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8603247&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Cyclic alcohols and derivatives
          • Level6 Cyclitols and derivatives
            • Level7 Inositol phosphates

• 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 oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Inositol phosphate - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Organic oxide - Hydrocarbon derivative - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Refractive Index: 1.4
• Molecular Weight: 660.040 g/mol
• XLogP3: -10.300
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 12
• Exact Mass: 659.861 Da
• Monoisotopic Mass: 659.861 Da
• Topological Polar Surface Area: 401.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 818.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1