Ditionat

Ditionat
Identifikacija
CAS registarski broj	14781-81-8^Y
PubChem[1][2]	3082075
ChemSpider[3]	2339557^Y
ChEBI	29209
Jmol-3D slike	Slika 1
SMILES [O-][S](=O)([O])[S](=O)([O-])[O]
InChI InChI=1S/O6S2/c1-7(2,3)8(4,5)6/q-2^Y Kod: PXSHQORLVHGUQW-UHFFFAOYSA-N^Y InChI=1S/H2O6S2/c1-7(2,3)8(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2
Svojstva
Molekulska formula	O6S2
Molarna masa	160.13 g mol^−1
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
Infobox references

Ditionat je hemijsko jedinjenje, koje ima molekulsku masu od 160,126 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	1
Particioni koeficijent[4] (ALogP)	-3,2
Rastvorljivost[5] (logS, log(mol/L))	0,6
Polarna površina[6] (PSA, Å^2)	120,1

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. 

Vanjske veze

Portal Hemija

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