Oksazolidindion
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| Nazivi | |
|---|---|
| IUPAC naziv
2,4-Oksazolidendion
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| Identifikacija | |
3D model (Jmol)
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| ChemSpider | |
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| Svojstva | |
| C3H3NO3 | |
| Molarna masa | 101,061 |
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa). | |
| Reference infokutije | |
Oksazolidinedion je organsko jedinjenje sa formulom HN(CO)2OCH2. To je bela čvrsta supstanca. Roditeljski prsten nije posebno važan, međutim ova osnovna struktura se nalazi u raznim antikonvulzivnim lekovima. Osnovno jedinjenje se dobija tretiranjem hloracetamida sa bikarbonatom.[3]
Osobine
[уреди | уреди извор]Oksazolidinedion je organsko jedinjenje, koje sadrži 3 atoma ugljenika i ima molekulsku masu od 101,061 Da.
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 4 |
| Broj donora vodonika | 1 |
| Broj rotacionih veza | 0 |
| Particioni koeficijent[4] (ALogP) | 0,2 |
| Rastvorljivost[5] (logS, log(mol/L)) | 0,1 |
| Polarna površina[6] (PSA, Å2) | 58,9 |
Reference
[уреди | уреди извор]- ^ 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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.
- ^ 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.
- ^ Cesa, Stefania; Mucciante, Vittoria; Rossi, Leucio (1999). „Tetraethylammonium hydrogen carbonate in organic synthesis: Synthesis of oxazolidine-2,4-diones”. Tetrahedron. 55: 193—200. doi:10.1016/S0040-4020(98)01025-4.
- ^ Ghose, A.K.; Viswanadhan V.N. & 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. PMID 11749573. doi:10.1021/ci000392t.
- ^ 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. PMID 11020286. doi:10.1021/jm000942e.
Literatura
[уреди | уреди извор]- Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I изд.). Oxford University Press. ISBN 978-0-19-850346-0.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th изд.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
- Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second изд.). Academic Press. ISBN 0080429882.
- Traube, Wilhelm; Ascher, Richard (1913). „Über das Isohydantoin 2-Imino-4-keto-tetrahydro-oxazol und seine Homologen” [About the isohydantoin (?) of 2-imino-4-keto-tetrahydro-oxazole and its homologues]. Berichte der Deutschen Chemischen Gesellschaft (на језику: German). 46 (2): 2077—2084. doi:10.1002/cber.191304602124.
