T-HCA : Osobine, Reference, Literatura, Spoljašnje veze Википедија

T-HCA

T-HCA
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	24587-49-3^Y
ATC kod	None
PubChem	CID 6155526
ChemSpider	4825947^Y
ChEMBL	CHEMBL507046^Y
Sinonimi	trans-4-hydroxycrotonic acid
Hemijski podaci
Formula	C₄H₆O₃
Molarna masa	102,089
SMILES OC\C=C\C(=O)O
InChI InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+^Y Key:RMQJECWPWQIIPW-OWOJBTEDSA-N^Y

T-HCA je organsko jedinjenje, koje sadrži 4 atoma ugljenika i ima molekulsku masu od 102,089 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	-0,2
Rastvorljivost^[2] (logS, log(mol/L))	-0,3
Polarna površina^[3] (PSA, Å²)	57,5

^ 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.