Karboksifluorescein sukcinimidil estar

Karboksifluorescein sukcinimidil estar
Identifikacija
CAS registarski broj 92557-81-8 DaY
Jmol-3D slike Slika 1
SMILES

Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(cc45)C(=O)ON6C(=O)CCC6=O)c1

InChI

InChI=1S/C25H15NO9/c27-13-2-5-16-19(10-13)33-20-11-14(28)3-6-17(20)25(16)18-9-12(1-4-15(18)24(32)34-25)23(31)35-26-21(29)7-8-22(26)30/h1-6,9-11,27-28H,7-8H2 DaY
Kod: VDABVNMGKGUPEY-UHFFFAOYSA-N DaY

Svojstva
Molekulska formula C25H15NO9
Molarna masa 473.39 g mol−1



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

Infobox references

Karboksifluorescein sukcinimidil estar je organsko jedinjenje, koje sadrži 25 atoma ugljenika i ima molekulsku masu od 473,388 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 9
Broj donora vodonika 2
Broj rotacionih veza 3
Particioni koeficijent[1] (ALogP) 2,6
Rastvorljivost[2] (logS, log(mol/L)) -4,4
Polarna površina[3] (PSA, Å2) 139,7

Reference

  1. ↑ 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. 
  2. ↑ 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. 
  3. ↑ 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

  • Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6. 
  • Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7. 
  • Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882. 

Spoljašnje veze

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Karboksifluorescein sukcinimidil estar na Wikimedijinoj ostavi
  • Carboxyfluorescein succinimidyl ester