Dhurin
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| Identifikacija | |
|---|---|
3D model (Jmol)
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| ChemSpider | |
| ECHA InfoCard | 100.007.163 |
| |
| Svojstva | |
| C14H17NO7 | |
| Molarna masa | 311,287 |
Ukoliko nije drugaΔije napomenuto, podaci se odnose na standardno stanje materijala (na 25 Β°C [77 Β°F], 100 kPa). | |
| Reference infokutije | |
Dhurin je organsko jedinjenje, koje sadrΕΎi 14 atoma ugljenika i ima molekulsku masu od 311,287 Da.
Osobine
[ΡΡΠ΅Π΄ΠΈ | ΡΡΠ΅Π΄ΠΈ ΠΈΠ·Π²ΠΎΡ]| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 8 |
| Broj donora vodonika | 5 |
| Broj rotacionih veza | 4 |
| Particioni koeficijent[3] (ALogP) | -0,9 |
| Rastvorljivost[4] (logS, log(mol/L)) | -1,5 |
| Polarna povrΕ‘ina[5] (PSA, Γ 2) | 143,4 |
Reference
[ΡΡΠ΅Π΄ΠΈ | ΡΡΠ΅Π΄ΠΈ ΠΈΠ·Π²ΠΎΡ]- ^ Li Q, Cheng T, Wang Y, Bryant SH (2010). βPubChem as a public resource for drug discovery.β. Drug Discov Today. 15 (23-24): 1052β7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.
- ^ Evan E. Bolton; Yanli Wang; Paul A. Thiessen; Stephen H. Bryant (2008). βChapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activitiesβ. Annual Reports in Computational Chemistry. 4: 217β241. doi:10.1016/S1574-1400(08)00012-1.
- ^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). βPrediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methodsβ. J. Phys. Chem. A. 102: 3762β3772. doi:10.1021/jp980230o.
- ^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). βEstimation of Aqueous Solubility of Chemical Compounds Using E-State Indicesβ. Chem Inf. Comput. Sci.. 41: 1488β1493. PMID 11749573. doi:10.1021/ci000392t.
- ^ Ertl P.; Rohde B.; Selzer P. (2000). βFast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport propertiesβ. J. Med. Chem.. 43: 3714β3717. PMID 11020286. doi:10.1021/jm000942e.
Literatura
[ΡΡΠ΅Π΄ΠΈ | ΡΡΠ΅Π΄ΠΈ ΠΈΠ·Π²ΠΎΡ]- Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I ΠΈΠ·Π΄.). Oxford University Press. ISBN 978-0-19-850346-0.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th ΠΈΠ·Π΄.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
- Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second ΠΈΠ·Π΄.). Academic Press. ISBN 0080429882.
