Protiofat : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Protiofat

Protiofat
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	58416-00-5^Y
ATC kod	G01AX13 (WHO)
PubChem	CID 5464207
UNII	FIP88CI9Y3^Y
Hemijski podaci
Formula	C₁₂H₁₆O₆S
Molarna masa	288,317
SMILES CCCO\C(=C/1\S\C(=C(/O)\OCCC)\C(=O)C1=O)\O
InChI InChI=1S/C12H16O6S/c1-3-5-17-11(15)9-7(13)8(14)10(19-9)12(16)18-6-4-2/h15-16H,3-6H2,1-2H3/b11-9+,12-10+^Y Key:CXXZEBSLCSDIFJ-WGDLNXRISA-N^Y

Protiofat je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 288,317 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	2
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	2,2
Rastvorljivost^[2] (logS, log(mol/L))	-2,4
Polarna površina^[3] (PSA, Å²)	118,4

^ 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.