1,2,4-Butanetriol trinitrat
1,2,4-Butanetriol trinitrat je organsko jedinjenje, koje sadrži 4 atoma ugljenika i ima molekulsku masu od 241,113 Da.
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| Identifikacija | |
|---|---|
3D model (Jmol)
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| ChemSpider | |
| ECHA InfoCard | 100.026.998 |
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| Svojstva | |
| C4H7N3O9 | |
| Molarna masa | 241,113 |
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa). | |
| Reference infokutije | |
Osobine
uredi| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 9 |
| Broj donora vodonika | 0 |
| Broj rotacionih veza | 9 |
| Particioni koeficijent[1] (ALogP) | 5,9 |
| Rastvorljivost[2] (logS, log(mol/L)) | -3,7 |
| Polarna površina[3] (PSA, Å2) | 165,1 |
Reference
uredi- ^ 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
uredi- 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.
