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

CAS: 83-86-3 Cat. No.: P108521 분자식: C₆H₁₈O₂₄P₆ 분자량: 660.04 Beilstein Registry Number: 2201952 EC 번호: 201-506-6

등급 & 순도 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

개요

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.

사양

동의어

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

사양 및 순도

70% in H2O

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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이름과 식별자

Pubchem Sid

508813745

Pubchem Sid Url

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

정식 스마일

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)

이성체 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

분자량

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
    • 분류 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
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water, and methanol.
• 감도: Heat Sensitive；Light sensitive
• 굴절률: 1.4
• 분자량: 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