Sobrerol

Sobrerol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	42370-41-2^Y
ATC kod	R05CB07 (WHO)
PubChem	CID 36089
UNII	AI0NX02O35^Y
Sinonimi	trans-p-Menth-6-ene-2,8-diol; trans-sobrerol
Hemijski podaci
Formula	C₁₀H₁₈O₂
Molarna masa	170,249
SMILES CC1=CCC(C[C@@H]1O)C(C)(C)O
InChI InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8?,9-/m0/s1^Y Key:OMDMTHRBGUBUCO-GKAPJAKFSA-N^Y

Fizički podaci
Tačka topljenja	130—132 °C (266—270 °F)
Tačka ključanja	270—271 °C (518—520 °F)

Sobrerol je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 170,249 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	1,3
Rastvorljivost^[2] (logS, log(mol/L))	-1,7
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.