Amirin
Из Википедије, слободне енциклопедије
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Identifikacija
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| CAS registarski broj | 638-95-9  |
| PubChem[1][2] | 73170 |
| ChemSpider[3] | 65935 |
| Jmol-3D slike | Slika 1 |
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Svojstva
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| Molekulska formula | C30H50O |
| Molarna masa | 426.72 g mol−1 |
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Amirin je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 426,717 Da.
Osobine[уреди]
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 1 |
| Broj donora vodonika | 1 |
| Broj rotacionih veza | 0 |
| Particioni koeficijent[4] (ALogP) | 7,3 |
| Rastvorljivost[5] (logS, log(mol/L)) | -10,1 |
| Polarna površina[6] (PSA, Å2) | 20,2 |
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.
- ↑ 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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Amirin na Vikimedijinoj ostavi. |
