Aceglaton

Aceglaton
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	642-83-1
PubChem	CID 636372
ChemSpider	599998
UNII	347Q3OOJ13
Sinonimi	D-Glucaric acid di-γ-lactone 2,5-diacetate; 2,5-Di-O-acetyl-D-glucaro-1,4:6,3-dilactone; 2,5-Di-O-acetyl-D-glucosaccharo-1,4:6,3-dilactone
Hemijski podaci
Formula	C10H10O8
Molarna masa	258,182
	SMILES CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H](OC(=O)C)[C@@H]2OC1=O; ;
	InChI InChI=1S/C10H10O8/c1-3(11)15-7-5-6(18-9(7)13)8(10(14)17-5)16-4(2)12/h5-8H,1-2H3/t5-,6-,7-,8+/m1/s1 ; Key:ZOZKYEHVNDEUCO-XUTVFYLZSA-N ;
Fizički podaci
Tačka topljenja	185 °C (365 °F)

Aceglaton je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 258,182 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	-0,8
Rastvorljivost^[2] (logS, log(mol/L))	-1,6
Polarna površina^[3] (PSA, Å²)	105,2

^ 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.