Magnesijum aspartat

Magnesijum aspartat
Klinički podaci

Drugs.com	aspartate.html Monografija
Identifikatori
ATC kod	A12CC05 (WHO)
PubChem	CID 16211203
Hemijski podaci
Formula	C₈H₁₂MgN₂O₈
Molarna masa	288,494
SMILES [Mg+2].N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-]
InChI InChI=1S/2C4H7NO4.Mg/c25-2(4(8)9)1-3(6)7;/h22H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1^Y Key:RXMQCXCANMAVIO-CEOVSRFSSA-L^Y

Magnesijum aspartat je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 288,494 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	10
Broj donora vodonika	4
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	-10,5
Rastvorljivost^[2] (logS, log(mol/L))	-1,8
Polarna površina^[3] (PSA, Å²)	244,5

^ 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.