Kandokuronijum jodid : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Kandokuronijum jodid

Kandokuronijum jodid
Klinički podaci

Drugs.com	iodide.html Monografija
Identifikatori
CAS broj	54278-85-2^Y
ATC kod	None
PubChem	CID 71537
ChemSpider	64610^Y
UNII	SC80GNP08C^Y
Sinonimi	Chandonium iodide; HS-310
Hemijski podaci
Formula	C₂₆H₄₆I₂N₂
Molarna masa	640,466
SMILES [I-].[I-].C[C@@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H]3CCC[N+]4(C)C)[N+]5(C)CCCC5
InChI InChI=1S/C26H46N2.2HI/c1-25-14-12-21(28(5)17-6-7-18-28)19-20(25)10-11-22-23(25)13-15-26(2)24(22)9-8-16-27(26,3)4;;/h10,21-24H,6-9,11-19H2,1-5H3;2*1H/q+2;;/p-2/t21-,22+,23-,24-,25+,26+;;/m0../s1^Y Key:GGAGIPMNQXAXNH-IHCUGGFCSA-L^Y

Kandokuronijum jodid je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 640,466 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	0
Broj donora vodonika	0
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	-4,2
Rastvorljivost^[2] (logS, log(mol/L))	-7,8
Polarna površina^[3] (PSA, Å²)	98,5

^ 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.