83-86-3
Product Name:
Phytic acid
Formula:
C6H18O24P6
Synonyms:
myo-Inositol hexakis(dihydrogen phosphate)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Straw-colored syrupy liquid; [Merck Index] |
|---|---|
| Collision Cross Section | 193.29 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Biological Agents -> Plant Oils and Extracts |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H290:Corrosive to Metals H302:Acute toxicity,oral H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P234:Keep only in original container. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 660.04 g/mol |
|---|---|
| XLogP3 | -10.3 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 24 |
| Rotatable Bond Count | 12 |
| Exact Mass | 659.86137342 g/mol |
| Monoisotopic Mass | 659.86137342 g/mol |
| Topological Polar Surface Area | 401 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 818 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Myo-inositol hexakisphosphate is a myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated. It has a role as an iron chelator, an antineoplastic agent, a signalling molecule, an Escherichia coli metabolite, a mouse metabolite and a cofactor. It is a conjugate acid of a myo-inositol hexakisphosphate(12-).