O-1871

O-1871
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	620964-96-7^Y
ATC kod	none
PubChem	CID 10405368
Hemijski podaci
Formula	C₂₃H₃₈O₂
Molarna masa	346,547
SMILES CCCCCCC(C)(C)c1cc(O)c(C2CCCC(C)(C)C2)c(O)c1
InChI InChI=1S/C23H38O2/c1-6-7-8-9-13-23(4,5)18-14-19(24)21(20(25)15-18)17-11-10-12-22(2,3)16-17/h14-15,17,24-25H,6-13,16H2,1-5H3^Y Key:WBSPBIRKSHKQQD-UHFFFAOYSA-N^Y

O-1871 je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 346,547 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	7,7
Rastvorljivost^[2] (logS, log(mol/L))	-7,8
Polarna površina^[3] (PSA, Å²)	40,5

^ 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.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.