Lumisterol
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| Lumisterol | |||
|---|---|---|---|
| |||
| Identifikacija | |||
| CAS registarski broj | 474-69-1
| ||
| PubChem[1][2] | 6436872 | ||
| ChemSpider[3] | 4941479
| ||
| Jmol-3D slike | Slika 1 | ||
| |||
| |||
| Svojstva | |||
| Molekulska formula | C28H44O | ||
| Molarna masa | 396.65 g mol−1 | ||
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| Infobox references | |||
Lumisteroljeorgansko jedinjenje,koje sadrži 28atomaugljenikai imamolekulsku masuod 396,648Da.
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 1 |
| Broj donora vodonika | 1 |
| Broj rotacionih veza | 4 |
| Particioni koeficijent[4](ALogP) | 6,9 |
| Rastvorljivost[5](logS,log(mol/L)) | -8,7 |
| Polarna površina[6](PSA,Å2) | 20,2 |
- ↑Li Q, Cheng T, Wang Y, Bryant SH (2010).„PubChem as a public resource for drug discovery.”.Drug Discov Today15(23-24): 1052-7.DOI:10.1016/j.drudis.2010.10.003.PMID20970519.
- ↑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 Chemistry4:217-241.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 Cheminform2(1): 3.DOI:10.1186/1758-2946-2-3.PMID20331846.
- ↑Ghose, A.K., Viswanadhan V.N., and 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. A102:3762-3772.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.PMID11749573.
- ↑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.PMID11020286.
- Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001).Organic chemistry.Oxford, Oxfordshire: Oxford University Press.ISBN0-19-850346-6.
- Smith, Michael B.; March, Jerry (2007).Advanced Organic Chemistry: Reactions, Mechanisms, and Structure(6th izd.). New York: Wiley-Interscience.ISBN0-471-72091-7.
- Katritzky A.R., Pozharskii A.F. (2000).Handbook of Heterocyclic Chemistry.Academic Press.ISBN0080429882.
