Bukminsterfuleren : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Bukminsterfuleren

Identifikacija

3D model (Jmol)

ChEBI

ChemSpider

ECHA InfoCard

100.156.884

PubChem^[1]^[2] C ID

SMILES

C12=C3C4=C5C6=C7C8=C9C%10=C%11C8=C%12C6=C%13C4=C1C%14=C%15C%16=C2C%17=C%18C%16=C%19C%20=C%21C%22=C(C%10=C%23C%22=C%24C%20=C%18c%25c%24c%26C%23=C9c%27c7c5c%28C3=C%17c%25c%28c%26%27)C%29=C%11c%30c%12c%13c%14c%31c%15c%19c%21c%29c%30%31

Svojstva

C₆₀

720,642

Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).

Reference infokutije

Bukminsterfuleren ili organsko jedinjenje, tip fulerena, koje sadrži 60 atoma ugljenika i ima molekulsku masu od 720,642 Da.

Osobine

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

^ 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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003. уреди
^ 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.
^ 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.

Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I изд.). Oxford University Press. ISBN 978-0-19-850346-0.
Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th изд.). New York: Wiley-Interscience. ISBN 0-471-72091-7.