Glicaramid : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Glicaramid

Glicaramid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	36980-34-4^Y
ATC kod	None
PubChem	CID 65799
ChemSpider	59215^Y
UNII	UK5SR22C8Q^Y
Hemijski podaci
Formula	C₃₀H₄₂N₆O₅S
Molarna masa	598,757
SMILES CCn1nc(C)c2c(OCCC(C)C)c(cnc12)C(=O)NCCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4
InChI InChI=1S/C30H42N6O5S/c1-5-36-28-26(21(4)34-36)27(41-18-16-20(2)3)25(19-32-28)29(37)31-17-15-22-11-13-24(14-12-22)42(39,40)35-30(38)33-23-9-7-6-8-10-23/h11-14,19-20,23H,5-10,15-18H2,1-4H3,(H,31,37)(H2,33,35,38)^Y Key:DIBGLVNSPMMGHO-UHFFFAOYSA-N^Y

Glicaramid je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 598,757 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	3
Broj rotacionih veza	12
Particioni koeficijent^[1] (ALogP)	4,6
Rastvorljivost^[2] (logS, log(mol/L))	-8,4
Polarna površina^[3] (PSA, Å²)	152,7

^ 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.