Phytic acid solution - 50% in H2O , CAS No.83-86-3

CAS: 83-86-3 Cat. No.: P108518 Summenformel: C₆H₁₈O₂₄P₆ Molekulargewicht: 660.04 Beilstein Registry Number: 2201952 EG-Nummer: 201-506-6

QUALITÄT & REINHEIT 50% in H2O

Synonyms

Fytic acid | myo-inositol hexakisphosphate | Alkalovert | Phytine | Acide fytique | Alkovert | Acidum fyticum | Acido fitico | inositol hexakisphosphate | Phytate | Phytic acid | Inositol hexaphosphate | myo-Inositol hexaphosphate

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Übersicht

Phytic Acid is a constituent of wheat bran shown to have antineoplastic action in colon carcinogenesis. Phytic Acid inhibits cell differentiation and cell proliferation.
A compound which inhibits cell differentiation and cell proliferation.

Spezifikationen

Synonyme

Fytic acid | myo-inositol hexakisphosphate | Alkalovert | Phytine | Acide fytique | Alkovert | Acidum fyticum | Acido fitico | inositol hexakisphosphate | Phytate | Phytic acid | Inositol hexaphosphate | myo-Inositol hexaphosphate

Spezifikationen & Reinheit

50% in H2O

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

504750431

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750431

Kanonisches Lächeln

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

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)

Isomere 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

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Cyclic alcohols and derivatives
          • Ebene6 Cyclitols and derivatives
            • Ebene7 Inositol phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, and methanol.
• Empfindlichkeit: Heat Sensitive；light sensitive；moisture sensitive
• Brechungsindex: 1.4
• Molekulargewicht: 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