PERIODIC ACID
General Information
| Mainterm | PERIODIC ACID |
| Doc Type | EAF |
| CAS Reg.No.(or other ID) | 10450-60-9 |
| Regnum |
173.357 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 25289 |
| IUPAC Name | pentahydroxy(oxo)-$l^{7}-iodane |
| InChI | InChI=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7) |
| InChI Key | TWLXDPFBEPBAQB-UHFFFAOYSA-N |
| Canonical SMILES | OI(=O)(O)(O)(O)O |
| Molecular Formula | H5IO6 |
| Wikipedia | orthoperiodic acid |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 227.938 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Complexity | 122.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Y A A O A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 118.0 |
| Monoisotopic Mass | 227.913 |
| Exact Mass | 227.913 |
| XLogP3 | None |
| XLogP3-AA | -2.1 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9152 |
| Human Intestinal Absorption | HIA- | 0.7509 |
| Caco-2 Permeability | Caco2- | 0.7463 |
| P-glycoprotein Substrate | Non-substrate | 0.8606 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9736 |
| Non-inhibitor | 0.9923 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9552 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.7300 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.7891 |
| CYP450 2D6 Substrate | Non-substrate | 0.8343 |
| CYP450 3A4 Substrate | Non-substrate | 0.7190 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8539 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8596 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9087 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8660 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9068 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9752 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9383 |
| Non-inhibitor | 0.9510 | |
| AMES Toxicity | Non AMES toxic | 0.8590 |
| Carcinogens | Carcinogens | 0.6428 |
| Fish Toxicity | Low FHMT | 0.6867 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.6165 |
| Honey Bee Toxicity | High HBT | 0.7590 |
| Biodegradation | Not ready biodegradable | 0.9089 |
| Acute Oral Toxicity | III | 0.6769 |
| Carcinogenicity (Three-class) | Non-required | 0.6168 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.6968 | LogS |
| Caco-2 Permeability | -0.3488 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.2217 | LD50, mol/kg |
| Fish Toxicity | 1.2459 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.1099 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Homogeneous non-metal compounds |
| Class | Halogen organides |
| Subclass | Halogen oxides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halogen oxides |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Halogen oxide - Inorganic oxide |
| Description | This compound belongs to the class of inorganic compounds known as halogen oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a halogen. |
From ClassyFire