Alfa-Ketoizovalerinska kiselina
| |
| Identifikacija | |
|---|---|
3D model (Jmol)
|
|
| ChEBI | |
| DrugBank | |
| ECHA InfoCard | 100.010.969 |
| KEGG[1] | |
| |
| Svojstva | |
| C5H8O3 | |
| Molarna masa | 116,115 |
| Tačka topljenja | 31.5 |
| Tačka ključanja | 170.5 °C |
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa). | |
 verifikuj (šta je   ?)
| |
| Reference infokutije | |
Alfa-Ketoizovalerinska kiselina je organsko jedinjenje, koje sadrži 5 atoma ugljenika i ima molekulsku masu od 116,115 Da.[4][5]
Osobine
[uredi | uredi izvor]| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 3 |
| Broj donora vodonika | 1 |
| Broj rotacionih veza | 2 |
| Particioni koeficijent[6] (ALogP) | 0,8 |
| Rastvorljivost[7] (logS, log(mol/L)) | -1,1 |
| Polarna površina[8] (PSA, Å2) | 54,4 |
Reference
[uredi | uredi izvor]- ^ Joanne Wixon; Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast. 17 (1): 48—55. doi:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
- ^ 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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.
- ^ 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.
- ^ 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. PMC 3013709
. PMID 21059682. doi:10.1093/nar/gkq1126.
- ^ Nucleic Acids Res (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.
|first2=zahteva|last2=u Authors list (pomoć);|first3=zahteva|last3=u Authors list (pomoć);|first4=zahteva|last4=u Authors list (pomoć);|first5=zahteva|last5=u Authors list (pomoć);|first6=zahteva|last6=u Authors list (pomoć);|first7=zahteva|last7=u Authors list (pomoć);|first8=zahteva|last8=u Authors list (pomoć) - ^ 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. A. 102: 3762—3772. doi:10.1021/jp980230o. Arhivirano iz originala 22. 07. 2014. g. Pristupljeno 13. 12. 2013.
- ^ 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. PMID 11749573. doi:10.1021/ci000392t.
- ^ 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. PMID 11020286. doi:10.1021/jm000942e.
Literatura
[uredi | uredi izvor]- Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I izd.). Oxford University Press. ISBN 978-0-19-850346-0.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
- Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second izd.). Academic Press. ISBN 0080429882.
