Kalcijum titanat

Kalcijum titanat je hemijsko jedinjenje, koje ima molekulsku masu od 139,975 Da.

Kalcijum titanat
Identifikacija
CAS registarski broj	12049-50-2 Y
PubChem[1][2]	16212381
ChemSpider[3]	17340234 Y
Jmol-3D slike	Slika 1
Svojstva
Molekulska formula	H4CaO3Ti
Molarna masa	139.97 g mol−1
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
Infobox references

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	3
Broj rotacionih veza	0
Particioni koeficijent[4] (ALogP)	-2,0
Rastvorljivost[5] (logS, log(mol/L))	2,6
Polarna površina[6] (PSA, Å2)	158,6

Reference

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. 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
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

• Holleman A. F., Wiberg E. (2001). Inorganic Chemistry (1st edition izd.). San Diego: Academic Press. ISBN 0-12-352651-5.
• Housecroft C. E., Sharpe A. G. (2008). Inorganic Chemistry (3rd izd.). Prentice Hall. ISBN 978-0-13-175553-6.

Spoljašnje veze

Portal Hemija

Kalcijum titanat na Wikimedijinoj ostavi

• Calcium titanate