Hrizoin rezorcinol
Hrizoin rezorcinol
Identifikacija
CAS registarski broj
547-57-9 Y
PubChem [1] [2]
6093186
ChemSpider [3]
21106427 Y
Jmol -3D slike
Slika 1
[Na+].Oc1cccc(O)c1.Oc2cc([O-])ccc2N=Nc3ccc(cc3)S(=O)(=O)O
InChI=1S/C12H10N2O5S.C6H6O2.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;7-5-2-1-3-6(8)4-5;/h1-7,15-16H,(H,17,18,19);1-4,7-8H;/q;;+1/p-1/b14-13+;; Y Kod: DJYSHZPRWDNEOL-QDBORUFSSA-M Y
InChI=1/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);/q;+1/p-1/b14-13+;
Svojstva
Molekulska formula
C18 H15 N2 NaO7 S
Molarna masa
426.38 g mol−1
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
Infobox references
Hrizoin rezorcinol je organsko jedinjenje , koje sadrži 18 atoma ugljenika i ima molekulsku masu od 426,376 Da .
Osobine
Reference
↑ 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
↑ 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 .
↑ 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
↑ 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 .
↑ 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 .
↑ 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
Spoljašnje veze
Portal Hemija
The article is a derivative under the Creative Commons Attribution-ShareAlike License .
A link to the original article can be found here and attribution parties here
By using this site, you agree to the Terms of Use . Gpedia ® is a registered trademark of the Cyberajah Pty Ltd