Kavikularin
Identifikacija
CAS registarski broj
178734-41-3 Y
ChemSpider [ 1] 26323925 Y
Jmol -3D slike
Slika 1
Oc1ccc2c(CCc3ccc(Oc4cc5c(CCc6ccc(O)c2c56)cc4O)cc3)c1
InChI=1S/C28H22O4/c29-20-8-11-22-18(13-20)4-1-16-2-9-21(10-3-16)32-26-15-23-19(14-25(26)31)6-5-17-7-12-24(30)28(22)27(17)23/h2-3,7-15,29-31H,1,4-6H2 Y Y
InChI=1/C28H22O4/c29-20-8-11-22-18(13-20)4-1-16-2-9-21(10-3-16)32-26-15-23-19(14-25(26)31)6-5-17-7-12-24(30)28(22)27(17)23/h2-3,7-15,29-31H,1,4-6H2
Svojstva
Molekulska formula
C28 H22 O4
Molarna masa
422.47 g mol−1
standardno stanje (25 °C, 100 kPa) materijala
Infobox references
Kavikularin je organsko jedinjenje , koje sadrži 28 atoma ugljenika i ima molekulsku masu od 422,472 Da
↑ 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 .
