Lepidolid

Identifikacija

CAS registarski broj

605664-52-6^Y

Jmol-3D slike

Slika 1

SMILES

C[C@H](\C=C\C=C(/C)\C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C4OC(=O)C(=C4[C@@H](CCC(=O)O)[C@]3(C)CC[C@]12C)C

InChI
InChI=1S/C30H40O6/c1-17(8-7-9-18(2)26(33)34)20-12-13-30(6)23-16-22-25(19(3)27(35)36-22)21(10-11-24(31)32)28(23,4)14-15-29(20,30)5/h7-9,16-17,20-21,23H,10-15H2,1-6H3,(H,31,32)(H,33,34)/b8-7+,18-9+/t17-,20-,21-,23-,28+,29-,30+/m1/s1^Y Kod: XQPMQYSWONIJSL-UROXQCBESA-N^Y

Svojstva

Molekulska formula

C₃₀H₄₀O₆

Molarna masa

496.64 g mol⁻¹

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

Infobox references

Lepidolid je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 496,635 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	5,6
Rastvorljivost^[2] (logS, log(mol/L))	-8,2
Polarna površina^[3] (PSA, Å²)	100,9

↑ 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.

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.