Alameticin je organsko jedinjenje, koje sadrži 92 atoma ugljenika i ima molekulsku masu od 1964,308 Da.

Alameticin
Identifikacija
3D model (Jmol)
ChemSpider
ECHA InfoCard 100.121.626
  • CC(C)C[C@H](\N=C(/O)\C\N=C(/O)\C(C)(C)\N=C(/O)\[C@@H](\N=C(/O)\C(C)(C)\N=C(/O)\[C@H](CCC(=N)O)\N=C(/O)\[C@H](C)\N=C(/O)\C(C)(C)\N=C(/O)\[C@H](C)\N=C(/O)\C(C)(C)\N=C(/O)\[C@@H]1CCCN1C(=O)C(C)(C)\N=C(/C)\O)C(C)C)\C(=N\C(C)(C)C(=O)N2CCC[C@H]2\C(=N\[C@@H](C(C)C)\C(=N\C(C)(C)\C(=N\C(C)(C)\C(=N\[C@@H](CCC(=O)O)\C(=N\[C@@H](CCC(=N)O)\C(=N\[C@H](CO)Cc3ccccc3)\O)\O)\O)\O)\O)\O)\O
Svojstva
C92H150N22O25
Molarna masa 1964,308
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).
Reference infokutije
Osobina Vrednost
Broj akceptora vodonika 45
Broj donora vodonika 24
Broj rotacionih veza 53
Particioni koeficijent[3] (ALogP) 9,2
Rastvorljivost[4] (logS, log(mol/L)) -21,3
Polarna površina[5] (PSA, Å2) 772,9

Reference

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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.  уреди
  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. ^ 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. 
  4. ^ 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. 
  5. ^ 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

уреди

Spoljašnje veze

уреди