Acetilpropionilmorfin

Acetilpropionilmorfin
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	66640-99-1
ATC kod	None
ChemSpider	26286893
Hemijski podaci
Formula	C22H25NO5
Molarna masa	383,438
	SMILES CCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)C)c5O[C@@H]1[C@@]2(CCN3C)c45; ;
	InChI InChI=1S/C22H25NO5/c1-4-18(25)27-17-8-6-14-15-11-13-5-7-16(26-12(2)24)20-19(13)22(14,21(17)28-20)9-10-23(15)3/h5-8,14-15,17,21H,4,9-11H2,1-3H3/t14-,15+,17-,21-,22+/m0/s1 ; Key:JDTRGWXTYWXUHP-AFOIZWJHSA-N ;

Acetilpropionilmorfin je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 383,438 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	2,5
Rastvorljivost^[2] (logS, log(mol/L))	-3,8
Polarna površina^[3] (PSA, Å²)	65,1

^ 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.