Phytic acid solution - 70% in H2O , CAS No.83-86-3

CAS: 83-86-3 Cat. No.: P108521 Formule: C₆H₁₈O₂₄P₆ Poids moléculaire: 660.04 Beilstein Registry Number: 2201952 Numéro CE: 201-506-6

QUALITÉ & PURETÉ 70% in H2O

Synonyms

Fytic acid | hexasodium-phytate | myo-inositol hexakisphosphate | Alkalovert | Phytine | Acide fytique | Alkovert | Acidum fyticum | Acido fitico | AKOS015856604 | inositol hexakisphosphate | Inosithexaphosphorsaeure | Phyton | SCHEMBL1682030 | AC-8037 |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Vue d’ensemble

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.

Spécifications

Synonymes

Fytic acid | hexasodium-phytate | myo-inositol hexakisphosphate | Alkalovert | Phytine | Acide fytique | Alkovert | Acidum fyticum | Acido fitico | AKOS015856604 | inositol hexakisphosphate | Inosithexaphosphorsaeure | Phyton | SCHEMBL1682030 | AC-8037 |

Spécifications et pureté

70% in H2O

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

508813745

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813745

Sourires canoniques

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)

Isomères 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

Poids moléculaire

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
    • Classe 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
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water, and methanol.
• Sensibilité: Heat Sensitive；Light sensitive
• Indice de réfraction: 1.4
• Poids moléculaire: 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