Manosulfan

Manosulfan
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
ATC kod L01AB03
PubChem[1][2] 24140
UNII 135FQ40L36 DaY
Hemijski podaci
Formula C10H22O14S4 
Mol. masa 494,533
SMILES eMolekuli & PubHem
InChI
InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
Key: UUVIQYKKKBJYJT-ZYUZMQFOSA-N DaY
Sinonimi [(2R,3S,4S,5R)-3,4-dihydroxy-2,5,6-tris(methylsulfonyloxy)hexyl] methanesulfonate
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Manosulfan je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 494,533 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 14
Broj donora vodonika 2
Broj rotacionih veza 13
Particioni koeficijent[3] (ALogP) -3,0
Rastvorljivost[4] (logS, log(mol/L)) -2,1
Polarna površina[5] (PSA, Å2) 247,4

Reference

  1. ↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
  2. ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
  3. ↑ Ghose, A.K., Viswanadhan V.N., and 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. 
  4. ↑ 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. DOI:10.1021/ci000392t. PMID 11749573. 
  5. ↑ 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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

  • Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. 
  • Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. 

Spoljašnje veze

Portal Medicina
Portal Hemija
Manosulfan na Wikimedijinoj ostavi
  • Mannosulfan