Tutin (toksin)

Tutin (toksin)
Klinički podaci

Drugs.com	(toxin).html Monografija
Identifikatori
CAS broj	2571-22-4^Y
ATC kod	none
PubChem	CID 75729
Hemijski podaci
Formula	C₁₅H₁₈O₆
Molarna masa	294,300
SMILES CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)[C@H]4O[C@H]4[C@]5(CO5)[C@]3(C)[C@@H]2O
InChI InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1^Y Key:CCAZWUJBLXKBAY-ULZPOIKGSA-N^Y

Tutin (toksin) je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 294,300 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	2
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	-0,8
Rastvorljivost^[2] (logS, log(mol/L))	-0,8
Polarna površina^[3] (PSA, Å²)	91,8

^ 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.