N-Acil homoserinski lakton

Izvor: Wikipedia
N-Acil homoserinski lakton
N-Acyl Homoserine Lactone.png
Identifikacija
CAS registarski broj 1192-20-7 YesY
PubChem[1][2] 7057884
ChemSpider[3] 66194 YesY
DrugBank DB02624
ChEBI 17289
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C4H7NO2
Molarna masa 101.1 g mol−1

 YesY (šta je ovo?)   (verifikuj)

Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

N-Acil homoserinski lakton je organsko jedinjenje, koje sadrži 4 atoma ugljenika i ima molekulsku masu od 101,104 Da.[4][5]

Osobine[uredi - уреди]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 1
Broj rotacionih veza 0
Particioni koeficijent[6] (ALogP) -0,9
Rastvorljivost[7] (logS, log(mol/L)) 0,2
Polarna površina[8] (PSA, Å2) 52,3

Reference[uredi - уреди]

  1. 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.  edit
  2. 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. 
  3. 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.  edit
  4. 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. PMID 21059682.  edit
  5. Nucleic Acids Res (2008). "DrugBank: a knowledgebase for drugs, drug actions and drug targets". Nucleic acids research 36 (Database issue): D901-6. DOI:10.1093/nar/gkm958. PMID 18048412.  edit
  6. 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. 
  7. 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.  edit
  8. 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.  edit

Literatura[uredi - уреди]

Spoljašnje veze[uredi - уреди]