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Fludeoksiglukoza (18F) – Wikipedija/Википедија

Fludeoksiglukoza (18F)
Identifikacija
CAS registarski broj 105851-17-0 Da
ChemSpider[1] 396785 Da
KEGG[2] D01843
ChEBI 49130
ChEMBL[3] CHEMBL497613 Da
Jmol-3D slike Slika 1

OCC1OC(O)[C@H]([18F])[C@@H](O)[C@@H]1O

InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2?,3-,4-,5-,6?/m1/s1/i7-1 Da
Kod: ZCXUVYAZINUVJD-LLSCIWEVSA-N Da

InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1

Svojstva
Molekulska formula C6H11FO5
Molarna masa 182.15 g mol−1


Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

Fludeoksiglukoza (18F) je organsko jedinjenje, koje sadrži 6 atoma ugljenika i ima molekulsku masu od 181,149 Da.

Osobina Vrednost
Broj akceptora vodonika 5
Broj donora vodonika 4
Broj rotacionih veza 1
Particioni koeficijent[4] (ALogP) -1,6
Rastvorljivost[5] (logS, log(mol/L)) -0,3
Polarna površina[6] (PSA, Å2) 90,2
  1. ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
  2. ↑ Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
  3. ↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit
  4. ↑ 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.
  5. ↑ 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.
  6. ↑ 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.