Movatterモバイル変換

[0]ホーム

Prijeđi na sadržaj

Cefalosporin C

Uredi veze

Izvor: Wikipedija

Cefalosporin C

Identifikacija

PubChem^[1]^[2]

ChemSpider^[3]

Jmol-3D slike

CC(=O)OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)CCC[C@H]([NH3+])C(O)=O)C2=O)C(O)=O

InChI
InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p+1/t9-,11+,14-/m0/s1^Y Kod: HOKIDJSKDBPKTQ-PXWWUCIGSA-O^Y

Svojstva

Molekulska formula

C₁₆H₂₂N₃O₈S

Molarna masa

416.43 g mol⁻¹

Y (šta je ovo?) (verifikuj)

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

Infobox references

Cefalosporin C jeorgansko jedinjenje, koje sadrži 16atoma ugljenika i imamolekulsku masu od 416,426Da.^[4]^[5]

Osobine

[uredi |uredi kod]

Osobina	Vrednost
Broj akceptora vodonika	9
Broj donora vodonika	4
Broj rotacionih veza	10
Particioni koeficijent^[6] (ALogP)	-2,6
Rastvorljivost^[7] (logS, log(mol/L))	-2,1
Polarna površina^[8] (PSA,Å²)	203,2

Reference

[uredi |uredi kod]

↑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
↑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.
↑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
↑Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035-41. DOI:10.1093/nar/gkq1126. PMC 3013709. PMID 21059682.
↑David S. Wishart, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam, and Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research 36 (Database issue): D901-6. DOI:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.
↑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. Arhivirano izoriginala na datum 2014-07-22. Pristupljeno 2014-04-11.
↑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.
↑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

[uredi |uredi kod]

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.

Vanjske veze

[uredi |uredi kod]

Portal Hemija

Cefalosporin C naWikimedijinoj ostavi

Cephalosporin C

Izvor:https://sh.wikipedia.org/w/index.php?title=Cefalosporin_C&oldid=42296941

Kategorije:

[8]ページ先頭