| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-05-19 01:56:37 UTC |
|---|
| Update Date | 2016-11-09 01:09:27 UTC |
|---|
| Accession Number | CHEM004950 |
|---|
| Identification |
|---|
| Common Name | CALCIUM HEXAMETAPHOSPHATE |
|---|
| Class | Small Molecule |
|---|
| Description | Not Available |
|---|
| Contaminant Sources | - EAFUS Chemicals
- FooDB Chemicals
|
|---|
| Contaminant Type | Not Available |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Tricalcium hexaoxocyclohexaphosphoxane-2,4,6,8,10,12-hexakis(olic acid) | Generator | | Calcium hexametaphosphoric acid | Generator |
|
|---|
| Chemical Formula | Ca3O18P6 |
|---|
| Average Molecular Mass | 594.066 g/mol |
|---|
| Monoisotopic Mass | 593.639 g/mol |
|---|
| CAS Registry Number | 10102-76-8 |
|---|
| IUPAC Name | tricalcium hexaoxocyclohexaphosphoxane-2,4,6,8,10,12-hexakis(olate) |
|---|
| Traditional Name | tricalcium hexaoxocyclohexaphosphoxane-2,4,6,8,10,12-hexakis(olate) |
|---|
| SMILES | [Ca++].[Ca++].[Ca++].[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)O1 |
|---|
| InChI Identifier | InChI=1S/3Ca.H6O18P6/c;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/q3*+2;/p-6 |
|---|
| InChI Key | KRSIWAJXDVVKLZ-UHFFFAOYSA-H |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of inorganic compounds known as alkaline earth metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal. |
|---|
| Kingdom | Inorganic compounds |
|---|
| Super Class | Mixed metal/non-metal compounds |
|---|
| Class | Alkaline earth metal oxoanionic compounds |
|---|
| Sub Class | Alkaline earth metal phosphates |
|---|
| Direct Parent | Alkaline earth metal phosphates |
|---|
| Alternative Parents | |
|---|
| Substituents | - Alkaline earth metal phosphate
- Inorganic calcium salt
- Inorganic oxide
- Inorganic salt
|
|---|
| Molecular Framework | Not Available |
|---|
| External Descriptors | Not Available |
|---|
| Biological Properties |
|---|
| Status | Detected and Not Quantified |
|---|
| Origin | Not Available |
|---|
| Cellular Locations | Not Available |
|---|
| Biofluid Locations | Not Available |
|---|
| Tissue Locations | Not Available |
|---|
| Pathways | Not Available |
|---|
| Applications | Not Available |
|---|
| Biological Roles | Not Available |
|---|
| Chemical Roles | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Appearance | Not Available |
|---|
| Experimental Properties | | Property | Value |
|---|
| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | View |
|---|
| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0000090000-f689b34ebe883ab14f62 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0000090000-f689b34ebe883ab14f62 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-0000090000-f689b34ebe883ab14f62 | Spectrum |
|
|---|
| Toxicity Profile |
|---|
| Route of Exposure | Not Available |
|---|
| Mechanism of Toxicity | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Toxicity Values | Not Available |
|---|
| Lethal Dose | Not Available |
|---|
| Carcinogenicity (IARC Classification) | Not Available |
|---|
| Uses/Sources | Not Available |
|---|
| Minimum Risk Level | Not Available |
|---|
| Health Effects | Not Available |
|---|
| Symptoms | Not Available |
|---|
| Treatment | Not Available |
|---|
| Concentrations |
|---|
| Not Available |
|---|
| External Links |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | HMDB0303199 |
|---|
| FooDB ID | FDB009055 |
|---|
| Phenol Explorer ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PDB ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| Chemspider ID | 55399 |
|---|
| ChEBI ID | Not Available |
|---|
| PubChem Compound ID | Not Available |
|---|
| Kegg Compound ID | Not Available |
|---|
| YMDB ID | Not Available |
|---|
| ECMDB ID | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | Not Available |
|---|
| General References | Not Available |
|---|
