Kolfosceril palmitat

Kolfosceril palmitat
Klinički podaci

Drugs.com	palmitate.html Monografija
Identifikatori
CAS broj	63-89-8^Y
ATC kod	R07AA01 (WHO)
PubChem	CID 6138
ChemSpider	5908^Y
UNII	319X2NFW0A^Y
KEGG	D03585^Y
ChEMBL	CHEMBL1200737^Y
Sinonimi	[2-({[2,3-bis(hexadecanoyloxy)propyl] phosphonato}oxy)ethyl]trimethylazanium
Hemijski podaci
Formula	C₄₀H₈₀NO₈P
Molarna masa	734,039
SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3^Y Key:KILNVBDSWZSGLL-UHFFFAOYSA-N^Y

Kolfosceril palmitat je organsko jedinjenje, koje sadrži 40 atoma ugljenika i ima molekulsku masu od 734,039 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	0
Broj rotacionih veza	40
Particioni koeficijent^[1] (ALogP)	9,8
Rastvorljivost^[2] (logS, log(mol/L))	-14,5
Polarna površina^[3] (PSA, Å²)	121,0

^ 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.