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Tunberginol G

Tunberginol G
Identifikacija
CAS registarski broj 80394-88-3 DaY
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C15H12O5
Molarna masa 272.25 g mol−1



Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

Tunberginol G je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 272,253 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 5
Broj donora vodonika 3
Broj rotacionih veza 1
Particioni koeficijent[1] (ALogP) 2,6
Rastvorljivost[2] (logS, log(mol/L)) -2,4
Polarna površina[3] (PSA, Å2) 87,0

Reference

  1. ↑ 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. 
  2. ↑ 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. 
  3. ↑ 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. 

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