Search summary:
Session ID: 5c57e91a50214558c5dd8364ffaf0c40
Search Type: drug
Started at: 2009-12-09 08:53:14
Finished at: 2009-12-09 08:53:54
| Field | Result | Source |
|---|---|---|
| Name | ||
| Not Available | Not Applicable | |
| Drugbank ID | ||
| Not Available | Not Applicable | |
| Description | ||
| Not Available | Not Applicable | |
| Chemical Kingdom | ||
| Organic | BioSpider | |
| Chemical Class | ||
| Not Available | Not Applicable | |
| Chemical Species | ||
| 1,2-diol | Checkmol | |
| primary alcohol | Checkmol | |
| secondary alcohol | Checkmol | |
| thioacetal | Checkmol | |
| Synonym | ||
| AKJ-3 | Pubchem | |
| D-glucose diethyl dithioacetal | Pubchem | |
| D-glucose diethyl mercaptal | Pubchem | |
| D-glucose diethylmercaptal | Pubchem | |
| D-glucose, diethyl mercaptal | Pubchem | |
| D-glucose-diethyldithioacetal | Pubchem | |
| Diethyl mercaptal of d-mannose | Pubchem | |
| G8759_SIGMA | Pubchem | |
| Glucose diethylmercaptal | Pubchem | |
| Brand Mixture | ||
| Not Available | Not Applicable | |
| CAS | ||
| 5463-33-2 | External | |
| InChI Identifier | ||
InChI=1/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6- 15H,3-5H2,1-2H3 |
World Wide Molecular Matrix | |
| IUPAC | ||
| 6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol | PubChem | |
| Chemical Formula | ||
| C10H22O5S2 | PubChem | |
| Chemical Structure | ||
 |
PubChem | |
| Average Molecular Weight (g/mol) | ||
| 286.408680 | BioSpider | |
| Monoisotopic Molecular Weight (g/mol) | ||
| 286.090870 | BioSpider | |
| SMILES (Isomeric) | ||
OC(C(SCC)SCC)C(O)C(O)C(O)CO |
ChemSpider | |
| SMILES (Canonical) | ||
CCSC(C(C(C(C(CO)O)O)O)O)SCC |
PubChem | |
| Kegg Drug | ||
| Not Available | Not Applicable | |
| Kegg Compound | ||
| Not Available | Not Applicable | |
| Pubchem Compound ID | ||
| 95420 | PubChem | |
| Pubchem Substance ID | ||
| 10227270 | Pubchem | |
| 10407675 | Pubchem | |
| 10408687 | Pubchem | |
| 11134993 | Pubchem | |
| 24895348 | Pubchem | |
| 26482349 | Pubchem | |
| 3138247 | Pubchem | |
| 442729 | Pubchem | |
| 44425932 | Pubchem | |
| 452619 | Pubchem | |
| 473855 | Pubchem | |
| 4947849 | Pubchem | |
| 53339884 | Pubchem | |
| 57336059 | Pubchem | |
| 672572 | Pubchem | |
| 74208 | Pubchem | |
| 82577 | Pubchem | |
| 83259 | Pubchem | |
| OMIM ID | ||
| Not Available | Not Applicable | |
| ChEBI | ||
| Not Available | Not Applicable | |
| BioCyc | ||
| Not Available | Not Applicable | |
| PharmGKB | ||
| Not Available | Not Applicable | |
| HET ID | ||
| Not Available | Not Applicable | |
| DPD ID | ||
| Not Available | Not Applicable | |
| Rxlist Link | ||
| Not Available | Not Applicable | |
| Wikipedia | ||
| Not Available | Not Applicable | |
| Pdr Health Link | ||
| Not Available | Not Applicable | |
| Melting Point | ||
| Not Available | Not Applicable | |
| State | ||
| Not Available | Not Applicable | |
| MSDS Link | ||
| Not Available | Not Applicable | |
| FDA Label | ||
| Not Available | Not Applicable | |
| Experimental Water Solubility | ||
| Not Available | Not Applicable | |
| Predicted Water Solubility | ||
| 33.9 mg/mL [Predicted by ALOGPS] | Alogps | |
| Experimental LogP | ||
| Not Available | Not Applicable | |
| Predicted LogP | ||
| -0.30 [Predicted by ALOGPS] | Alogps | |
| pKa | ||
| Not Available | Not Applicable | |
| SDF File | ||
| 1260374008.sdf | Pubchem | |
| Mol File | ||
| 1260373997.mol | Molconvert | |
| Pdb File | ||
| 1260374020.pdb | Molconvert | |
| Mass Spec File | ||
| Not Available | Not Applicable | |
| Associated Disorder | ||
| Not Available | Not Applicable | |
| Pathway | ||
| Not Available | Not Applicable | |
| Category | ||
| Not Available | Not Applicable | |
| ATC Code | ||
| Not Available | Not Applicable | |
| AHFS Code | ||
| Not Available | Not Applicable | |
| Schedule | ||
| Not Available | Not Applicable | |
| Indication | ||
| Not Available | Not Applicable | |
| Pharmacology | ||
| Not Available | Not Applicable | |
| Mechanism Of Action | ||
| Not Available | Not Applicable | |
| Absorption | ||
| Not Available | Not Applicable | |
| Protein Binding | ||
| Not Available | Not Applicable | |
| Half Life | ||
| Not Available | Not Applicable | |
| Biotransformation | ||
| Not Available | Not Applicable | |
| Toxicity | ||
| Not Available | Not Applicable | |
| Dosage | ||
| Not Available | Not Applicable | |
| Patient Information | ||
| Not Available | Not Applicable | |
| Interactions | ||
| Not Available | Not Applicable | |
| Contraindications | ||
| Not Available | Not Applicable | |
| Targets | ||
| Not Available | Not Applicable |