Terc-Butilhidrohinon
Из Википедије, слободне енциклопедије
| Terc-Butilhidrohinon | |
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Identifikacija
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| PubChem[1][2] | 16043 |
| ChemSpider[3] | 15235  |
| DrugBank | DB07726 |
| ChEMBL[4] | CHEMBL242080 |
| Jmol-3D slike | Slika 1 |
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Svojstva
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| Molekulska formula | C10H14O2 |
| Molarna masa | 166.22 g mol−1 |
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Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala |
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Terc-Butilhidrohinon je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 166,217 Da.[5][6]
Osobine[уреди]
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 2 |
| Broj donora vodonika | 2 |
| Broj rotacionih veza | 1 |
| Particioni koeficijent[7] (ALogP) | 2,7 |
| Rastvorljivost[8] (logS, log(mol/L)) | -2,2 |
| Polarna površina[9] (PSA, Å2) | 40,5 |
Reference[уреди]
- ↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today. 15 (23-24): 1052—7. doi:10.1016/j.drudis.2010.10.003. PMID 20970519.
- ↑ Evan E. Bolton; Yanli Wang; Paul A. Thiessen; Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry. 4: 217—241. doi:10.1016/S1574-1400(08)00012-1.
- ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform. 2 (1): 3. doi:10.1186/1758-2946-2-3. PMID 20331846.
- ↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res. 40 (Database issue): D1100—7. doi:10.1093/nar/gkr777. PMID 21948594.
- ↑ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. doi:10.1093/nar/gkq1126. PMC 3013709
. PMID 21059682. - ↑ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. doi:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.
- ↑ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
- ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. doi:10.1021/ci000392t. PMID 11749573.
- ↑ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. doi:10.1021/jm000942e. PMID 11020286.
Literatura[уреди]
- Clayden Jonathan; Nick Greeves; Stuart Warren; Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th изд.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
- Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second изд.). Academic Press. ISBN 0080429882.
Spoljašnje veze[уреди]
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Terc-Butilhidrohinon na Vikimedijinoj ostavi. |
