ANNINE-6plus
Identifikacija
CAS registarski broj
1151942-85-6 Y
ChemSpider [1]
27473575 Y
Jmol -3D slike
Slika 1
[Br-].[Br-].CCCC[N+](=C1C=CC2=C3C=CC4=C5C=CC6=CN(CCC[N+](C)(C)C)C=CC6=C5C=CC4=C3C=CC2=C1)CCCC
InChI=1S/C39H47N3.2BrH/c1-6-8-23-41(24-9-7-2)31-13-16-32-29(27-31)11-14-36-34(32)17-19-39-37-15-12-30-28-40(22-10-26-42(3,4)5)25-21-33(30)35(37)18-20-38(36)39;;/h11-21,25,27-28H,6-10,22-24,26H2,1-5H3;2*1H/q+2;;/p-2 Y Kod: LGXPDFMRHWKUGJ-UHFFFAOYSA-L Y
InChI=1/C39H47N3.2BrH/c1-6-8-23-41(24-9-7-2)31-13-16-32-29(27-31)11-14-36-34(32)17-19-39-37-15-12-30-28-40(22-10-26-42(3,4)5)25-21-33(30)35(37)18-20-38(36)39;;/h11-21,25,27-28H,6-10,22-24,26H2,1-5H3;2*1H/q+2;;/p-2
Svojstva
Molekulska formula
C39 H47 Br2 N3
Molarna masa
717.62 g mol−1
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
Infobox references
ANNINE-6plus je organsko jedinjenje , koje sadrži 39 atoma ugljenika i ima molekulsku masu od 717,619 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 .