Osladin

Identifikacija

CAS registarski broj

33650-66-7^Y

PubChem^[1]^[2]

441890

Jmol-3D slike

Slika 1

SMILES

CC(C1CCC(C)C(OC2OC(C)C(O)C(O)C2O)O1)C3CCC4C5CC(=O)C6CC(CCC6(C)C5CCC34C)OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O

InChI
InChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3^Y Kod: QZOALWMSYRBZSA-UHFFFAOYSA-N^Y

Svojstva

Molekulska formula

C₄₅H₇₄O₁₇

Molarna masa

887.06 g mol⁻¹

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

Infobox references

Osladin je organsko jedinjenje, koje sadrži 45 atoma ugljenika i ima molekulsku masu od 887,059 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	17
Broj donora vodonika	9
Broj rotacionih veza	9
Particioni koeficijent^[3] (ALogP)	0,9
Rastvorljivost^[4] (logS, log(mol/L))	-6,2
Polarna površina^[5] (PSA, Å²)	263,7

↑ 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
↑ 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.
↑ 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.
↑ 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.
↑ 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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