Etoglucid

Etoglucid

Klinički podaci
Drugs.com	Monografija
Identifikatori
ATC kod	L01AG01 (WHO)
PubChem	CID 16058
ChemSpider	15246^Y
UNII	4F9KUA0T4D^Y
KEGG	D07256^Y
Sinonimi	diglycidyltriethylene glycol
Hemijski podaci
Formula	C12H22O6
Molarna masa	262,299
SMILES C(COCCOCC1CO1)OCCOCC2CO2
InChI InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2^Y Key:UMILHIMHKXVDGH-UHFFFAOYSA-N^Y

Etoglucid je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 262,299 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	13
Particioni koeficijent[1] (ALogP)	-0,9
Rastvorljivost[2] (logS, log(mol/L))	-1,0
Polarna površina[3] (PSA, Å^2)	62,0

Reference

1. 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. 
2. 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. 
3. 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. 

Literatura

• 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. 

Spoljašnje veze

• Etoglucid

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