Gitoformat

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Gitoformat
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 10176-39-3
ATC kod C01AA09
PubChem[1][2] 65598
UNII B69U29O7J9 YesY
KEGG[3] D07147 YesY
Hemijski podaci
Formula C46H64O19 
Mol. masa 920,989
SMILES eMolekuli & PubHem
Sinonimi Gitoxin 3',3'',3''',4''',16-pentaformate
Farmakoinformacioni podaci
Trudnoća  ?
Pravni status

Gitoformat je organsko jedinjenje, koje sadrži 46 atoma ugljenika i ima molekulsku masu od 920,989 Da.

Osobine[uredi - уреди]

Osobina Vrednost
Broj akceptora vodonika 19
Broj donora vodonika 1
Broj rotacionih veza 17
Particioni koeficijent[4] (ALogP) 3,3
Rastvorljivost[5] (logS, log(mol/L)) -7,0
Polarna površina[6] (PSA, Å2) 233,4

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. 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. 
  4. 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. 
  5. 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. 
  6. 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. 

Literatura[uredi - уреди]

Spoljašnje veze[uredi - уреди]

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