Hipromeloza : Osobine, Reference, Literatura, Spoljašnje veze Wikipedia, slobodna enciklopedija

Hipromeloza

Identifikacija

CAS registarski broj

9004-65-3^Y

ChemSpider^[1]

21241863^Y

UNII

36SFW2JZ0W^Y

Jmol-3D slike

Slika 1

SMILES

COC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC)O[C@@H](OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@@H](OC)[C@@H]1OC.CC(O)COC[C@H]3O[C@@H](O[C@@H]4[C@@H](COCC(C)O)O[C@@H](OCC(C)O)[C@H](OCC(C)O)[C@H]4OCC(C)O)[C@H](OCC(C)O)[C@@H](OCC(C)O)[C@@H]3OCC(C)O

InChI

InChI=1S/C36H70O19.C20H38O11/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h19-44H,9-18H2,1-8H3;11-20H,9-10H2,1-8H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+;11-,12-,13-,14-,15+,16+,17-,18-,19-,20+/m11/s1^Y
Kod: PUSNGFYSTWMJSK-GSZQVNRLSA-N^Y

InChI=1/C36H70O19.C20H38O11/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h19-44H,9-18H2,1-8H3;11-20H,9-10H2,1-8H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+;11-,12-,13-,14-,15+,16+,17-,18-,19-,20+/m11/s1

Svojstva

Molekulska formula

C₅₆H₁₀₈O₃₀

Molarna masa

1261.44 g mol⁻¹

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

Infobox references

Hipromeloza je organsko jedinjenje, koje sadrži 56 atoma ugljenika i ima molekulsku masu od 1261,439 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	30
Broj donora vodonika	8
Broj rotacionih veza	40
Particioni koeficijent^[2] (ALogP)	-3,3
Rastvorljivost^[3] (logS, log(mol/L))	-5,2
Polarna površina^[4] (PSA, Å²)	364,9

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.