17-Fenilandrostenol

17-Fenilandrostenol
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	694438-95-4
ATC kod	None
PubChem	CID 25068278
ChemSpider	21475142
Sinonimi	(3α,5α)-17-Phenyl-androst-16-en-3-ol
Hemijski podaci
Formula	C25H34O
Molarna masa	350,537
	SMILES C[C@@]12CC[C@@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H]3CC=C4c5ccccc5; ;
	InChI InChI=1S/C25H34O/c1-24-14-12-19(26)16-18(24)8-9-20-22-11-10-21(17-6-4-3-5-7-17)25(22,2)15-13-23(20)24/h3-7,10,18-20,22-23,26H,8-9,11-16H2,1-2H3/t18-,19+,20-,22-,23-,24+,25-/m0/s1 ; Key:SINAMTXBCYKFDL-HCCFFBGWSA-N ;

17-Fenilandrostenol je organsko jedinjenje, koje sadrži 25 atoma ugljenika i ima molekulsku masu od 350,537 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	5,6
Rastvorljivost^[2] (logS, log(mol/L))	-7,6
Polarna površina^[3] (PSA, Å²)	20,2

^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”. The Journal of Physical Chemistry A. 102 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o.
^ Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.