Olimpiadan

Olimpiadan
Identifikacija
CAS registarski broj	158394-29-7
ChemSpider	26000999
Jmol-3D slike	Slika 1
SMILES
	F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.C1COCCOc2cccc3c(OCCOCCOCCOCCOc4cccc5c(OCCOCCOCCOCCOc6cccc7c(OCCOCCO1)cccc67)cccc45)cccc23.C8COCCOc9cccc%10c(OCCOCCOCCOCCOc%11cccc%12c(OCCOCCOCCOCCOc%13cccc%14c(OCCOCCO8)cccc%13%14)cccc%11%12)cccc9%10.C%15c%16ccc(C[n+]%17ccc(cc%17)c%18cc[n+](Cc%19ccc(C[n+]%20ccc(cc%20)c%21cc[n+]%15cc%21)cc%19)cc%18)cc%16.C%22c%23ccc(C[n+]%24ccc(cc%24)c%25cc[n+](Cc%26ccc(C[n+]%27ccc(cc%27)c%28cc[n+]%22cc%28)cc%26)cc%25)cc%23.C%29c%30ccc(C[n+]%31ccc(cc%31)c%32cc[n+](Cc%33ccc(C[n+]%34ccc(cc%34)c%35cc[n+]%29cc%35)cc%33)cc%32)cc%30
InChI
	InChI=1S/2C54H66O15.3C36H32N4.12F6P/c21-7-43-44-8-2-14-50(43)65-38-32-59-26-20-56-22-28-61-34-40-67-52-16-5-12-48-47(52)11-6-18-54(48)69-42-36-63-30-24-57-23-29-62-35-41-68-53-17-4-9-45-46(53)10-3-15-51(45)66-39-33-60-27-21-55-19-25-58-31-37-64-49(44)13-1;31-2-30-4-3-29(1)25-37-17-9-33(10-18-37)35-13-21-39(22-14-35)27-31-5-7-32(8-6-31)28-40-23-15-36(16-24-40)34-11-19-38(26-30)20-12-34;121-7(2,3,4,5)6/h21-18H,19-42H2;31-24H,25-28H2;;;;;;;;;;;;/q;;3+4;12*-1 ; Kod: ROLRJLKBOAVDIY-UHFFFAOYSA-N
Svojstva
Molekulska formula	C216H228F72N12O30P12
Molarna masa	5211.75 g mol−1
	; ; Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
	Infobox references

Olimpiadan je organsko jedinjenje, koje sadrži 216 atoma ugljenika i ima molekulsku masu od 5211,754 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	30
Broj donora vodonika	0
Broj rotacionih veza	0
Particioni koeficijent^[2] (ALogP)	50,5
Rastvorljivost^[3] (logS, log(mol/L))	-132,9
Polarna površina^[4] (PSA, Å²)	323,4

Reference

↑ 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
↑ 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.
↑ 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

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

Portal Hemija

Olympiadane

[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] 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.

[3] 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.

[4] 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.

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