Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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P169580-250mg
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250mg |
2
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$15.90
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P169580-1g
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1g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
|
$47.90
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P169580-5g
|
5g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
|
$137.90
|
|
| Synonyms | 3',4',5',6'-tetrahydroxyspiro[2,1-benzoxathiole-3,9'-xanthene]-1,1-dione | 3',4',5',6'-Tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene]1,1-dioxide | EINECS 251-134-3 | PYROGALLOLRED | Pyrogallolsulfonephthalein | 1,1-dioxospiro[2,1lambda6-benzoxath |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Argon charged |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans |
| Direct Parent | Xanthenes |
| Alternative Parents | Diarylethers Phthalides Benzofuranones Benzoxathioles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Diaryl ether - Benzofuranone - Phthalide - Benzoxathiole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Oxacycle - Polyol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Pubchem Sid | 504756220 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756220 |
| IUPAC Name | 1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol |
| INCHI | InChI=1S/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H |
| InChIKey | KUQNCHZOCSYKOR-UHFFFAOYSA-N |
| Smiles | C1=CC=C2C(=C1)C3(C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O)OS2(=O)=O |
| Isomeric SMILES | C1=CC=C2C(=C1)C3(C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O)OS2(=O)=O |
| PubChem CID | 94437 |
| Molecular Weight | 400.36 |
| Beilstein | 19407 |
| Reaxy-Rn | 363738 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 07, 2025 | P169580 | |
| Certificate of Analysis | May 07, 2025 | P169580 | |
| Certificate of Analysis | Jul 10, 2024 | P169580 | |
| Certificate of Analysis | Jul 10, 2024 | P169580 |
| Solubility | Soluble in water, ammonium hydroxide (10 mg/ml), and ethanol. |
|---|---|
| Sensitivity | Moisture sensitive. |
| Melt Point(°C) | ≥300 °C |
| Molecular Weight | 400.400 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Exact Mass | 400.025 Da |
| Monoisotopic Mass | 400.025 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 690.000 |
| 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 |
| 1. Yanmei Zhu, Fushuang Xiang, Yuanyuan Su, Xue Jiang, Yipeng Cang, Wanjun Long, Wei Lan, Gaoqiong Deng, Hengye Chen, Yuanbin She, Haiyan Fu. (2023) Authenticity identification of high – Temperature Daqu Baijiu through multi-channel visual array sensor of organic dyes combined with smart phone App. FOOD CHEMISTRY, (137980). |