Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Celgosivir is an α-glucosidase I inhibitor that can be studied for its potential use in the treatment of HCV infection.
| ALogP | -0.8 |
|---|
| Canonical Smiles | CCCC(=O)OC1CN2CCC(C2C(C1O)O)O |
|---|---|
| IUPAC Name | [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate |
| InChIKey | HTJGLYIJVSDQAE-VWNXEWBOSA-N |
| INCHI | 1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1 |
| Isomeric SMILES | CCCC(=O)O[C@H]1CN2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O |
| Molecular Weight | 259.3 |
| Reaxy-Rn | 13566658 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13566658&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indolizidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolizidines |
| Alternative Parents | Fatty acid esters Piperidines N-alkylpyrrolidines Trialkylamines Secondary alcohols Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Polyols Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Indolizidine - Fatty acid ester - Piperidine - N-alkylpyrrolidine - Fatty acyl - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen. |
| External Descriptors | Not available |
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| Solubility | Soluble in DMSO. |
|---|---|
| Refractive Index | n20D1.57 (Predicted) |
| Boil Point(°C) | 422.9° C |
| Melt Point(°C) | 147.02° C |
| Molecular Weight | 259.300 g/mol |
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 259.142 Da |
| Monoisotopic Mass | 259.142 Da |
| Topological Polar Surface Area | 90.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 311.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |