Merbromin je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 750,651 Da.

Merbromin
Structure of Merbromin.png
Merbromin-3D-vdW.png
Merbromin-Anti-Infective.jpg
Identifikacija
CAS registarski broj 129-16-8 YesY
ChemSpider[1] 10808965 YesY
UNII M0T18YH28D YesY
KEGG[2] D00861
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C20H8Br2HgNa2O6
Molarna masa 750.65 g mol−1



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

Infobox references

OsobineUredi

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 1
Broj rotacionih veza 2
Particioni koeficijent[3] (ALogP) 1,2
Rastvorljivost[4] (logS, log(mol/L)) -3,6
Polarna površina[5] (PSA, Å2) 282,0

ReferenceUredi

  1. 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. http://www.jcheminf.com/content/2/1/3.  edit
  2. 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. http://onlinelibrary.wiley.com/doi/10.1002/%28SICI%291097-0061%28200004%2917:1%3C48::AID-YEA2%3E3.0.CO;2-H/full. 
  3. 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. http://www.citeulike.org/user/gregoryross/article/2886898. 
  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. DOI:10.1021/ci000392t. PMID 11749573. http://pubs.acs.org/doi/abs/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. DOI:10.1021/jm000942e. PMID 11020286. http://pubs.acs.org/doi/abs/10.1021/jm000942e. 

LiteraturaUredi

Spoljašnje vezeUredi