AOAO-13

AOAO-13
Identifikacija

3D model (Jmol)	interaktivna slika

SMILES [I-].[I-].CN(C)c1ccc2cc3ccc(cc3[n+](CCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCC[n+]4c5cc(ccc5cc6ccc(cc46)N(C)C)N(C)C)c2c1)N(C)C
Svojstva
Hemijska formula	C₅₆H₈₀I₂N₈O₅
Molarna masa	1199,094
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).
Reference infokutije

AOAO-13 je organsko jedinjenje, koje sadrži 56 atoma ugljenika i ima molekulsku masu od 1199,094 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	9
Broj donora vodonika	2
Broj rotacionih veza	30
Particioni koeficijent^[1] (ALogP)	2,7
Rastvorljivost^[2] (logS, log(mol/L))	-12,9
Polarna površina^[3] (PSA, Å²)	205,1

^ 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.
Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second изд.). Academic Press. ISBN 0080429882.