Mizoribin

Mizoribin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	50924-49-7^Y
ATC kod	none
PubChem	CID 104762
UNII	4JR41A10VP^Y
KEGG	D01392^Y
Sinonimi	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
Hemijski podaci
Formula	C₉H₁₃N₃O₆
Molarna masa	259,216
SMILES NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O
InChI InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)^Y Key:HZQDCMWJEBCWBR-UHFFFAOYSA-N^Y

Mizoribin je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 259,216 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	5
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	-2,4
Rastvorljivost^[2] (logS, log(mol/L))	-0,1
Polarna površina^[3] (PSA, Å²)	151,1

^ 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.
^ 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.