Tiazofurin

Tiazofurin

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	60084-10-8^Y
ATC kod	L01XX18 (WHO)
PubChem	CID 457954
ChemSpider	403014^Y
UNII	ULJ82834RE^Y
ChEMBL	CHEMBL108358^Y
Sinonimi	2-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
Hemijski podaci
Formula	C9H12N2O5S
Molarna masa	260,267
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2nc(cs2)C(=N)O
InChI InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1^Y Key:FVRDYQYEVDDKCR-DBRKOABJSA-N^Y

Tiazofurin je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 260,267 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	5
Broj rotacionih veza	3
Particioni koeficijent[1] (ALogP)	-1,2
Rastvorljivost[2] (logS, log(mol/L))	-0,1
Polarna površina[3] (PSA, Å^2)	155,1

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

• Tiazofurin

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