K2218520Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Synonyms | 1,2,3,4,5,6-Hexa-O-acetyl-myo-inositol | AKOS030241399 | SCHEMBL7151553 | EINECS 207-844-0 | 1,2,3,4,5,6-Hexaacetylinositol | Myoinositol hexaacetate | myo-Inositol Hexaacetate | SCHEMBL7154470 | NSC232032 | NSC-232032 | W-200987 | SCHEMBL8329413 | SCHEMB |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Hexacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hexacarboxylic acids and derivatives |
| Alternative Parents | Cyclitols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Hexacarboxylic acid or derivatives - Cyclitol or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504757965 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757965 |
| IUPAC Name | (2,3,4,5,6-pentaacetyloxycyclohexyl) acetate |
| INCHI | InChI=1S/C18H24O12/c1-7(19)25-13-14(26-8(2)20)16(28-10(4)22)18(30-12(6)24)17(29-11(5)23)15(13)27-9(3)21/h13-18H,1-6H3 |
| InChIKey | SQUHHTBVTRBESD-UHFFFAOYSA-N |
| Smiles | CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Isomeric SMILES | CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Molecular Weight | 432.38 |
| Reaxy-Rn | 2342850 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2342850&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | 214-215° C |
|---|---|
| Molecular Weight | 432.400 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 12 |
| Exact Mass | 432.127 Da |
| Monoisotopic Mass | 432.127 Da |
| Topological Polar Surface Area | 158.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 547.000 |
| 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 |
Solution Calculators
Reviews
Customer Reviews
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