HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fytinsure
INOSITOL HEXAPHOSPHATE · phytic · phyticacidsolution · myo-Inositol hexakisphosphate · alkovert · fyticacid · PHYTIC ACID POWDER · Hexasodium phytate
Identifikatoren & physikalische Daten
| CAS No. | 83-86-3 |
|---|---|
| Summenformel | C6H18O24P6 |
| Durchschnittliche Molmasse | 660,04 g/mol |
| Monoisotopische Masse | 659,86137342 g/mol |
| SMILES | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O |
| InChIKey | IMQLKJBTEOYOSI-UHFFFAOYSA-N |
| PubChem CID | 890 |
| ChEMBL | CHEMBL2005481 |
| ChEBI | CHEBI:17401 |
| DTXSID | DTXSID00861653 |
| Lokaler Name | Fytinsure |
Chemische & physikalische Eigenschaften
| XLogP | -10,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 401 |
| H-Brücken-Donoren | 12 |
| H-Brücken-Akzeptoren | 24 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 818 |
| Collision Cross Section | 215.8 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]195.4 Ų [M-H]- [CCS Type: DT201.3 Ų [M+Na-2H]- [CCS Type: DT193.29 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]215.5 Ų [M+H]+195.5 Ų [M-H]-201 Ų [M-2H+Na]- |
| Schmelzpunkt | <25℃ |
| Siedepunkt | 105 °C |
| Dichte | 1.432 g/mL at 25 °C |
| Dampfdruck | 0.039Pa at 60℃ |
| Brechungsindex | n20/D 1.4 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Acetone (Slightly), Methanol (Slightly), Water (Soluble)MISCIBLE |
| Aggregatzustand | Colourless to Light Brown Solution |
| pKa (Säurekonstante) | 1.13±0.10(Predicted) |
| Wichte | 1.282 |
| Farbe | Colorless to light yellow |
| Geruch | odorless |
| Merck | 14,7387 |
| BRN | 2201952 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | CHELATING |
| InChIKey | IMQLKJBTEOYOSI-GPIVLXJGSA-N |
| SMILES | 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 |
| CAS Datenbank | 83-86-3(CAS DataBase Reference) |
| EPA chemische Informationen | myo-Inositol, hexakis(dihydrogen phosphate) (83-86-3) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | - |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1760 |
| Zollcode | 29199000 |
| RTECS-Nr. | NM7525000 |
| R-Sätze (R) | 36/37/38-35 |
| Toxizität | LD50 intravenous in mouse: 500mg/kg |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 26-36-37/39-45-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Met. Corr. 1Skin Corr. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
The principal storage form of phosphorus in many plant tissues, especially bran and seeds. It has antioxidant effect as well as neuroprotective effect by chelating iron. Inositol hexakisphosphate kina se type 2 (InsP6K2), which converts phytic acid to inositol pyrophosphate diphosphoinositol pentakisphosphate, is believed to induce pathogenesis of Huntington disease (HD).