Heptadekanska kiselina

Heptadekanska kiselina
	Heptadekanska kiselina
Drugi nazivi	Margarinska kiselina; n-margarinska kiselina; n-Heptadekanska kiselina;
Identifikacija
CAS registarski broj	506-12-7
ChemSpider	10033
MeSH	Heptadecanoic+acid
ChEBI	32365
ChEMBL	CHEMBL1172910
Jmol-3D slike	Slika 1
SMILES
	CCCCCCCCCCCCCCCCC(=O)O
InChI
	InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19) ; Kod: KEMQGTRYUADPNZ-UHFFFAOYSA-N InChI=1/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
Svojstva
Molekulska formula	C17H34O2
Molarna masa	270.45 g/mol
Agregatno stanje	beli kristali
Gustina	0.853 g/cm3
Tačka topljenja	61 °C
Tačka ključanja	227 °C (100 mm Hg)
Rastvorljivost u vodi	nerastvorljiva
Srodna jedinjenja
Srodna višemasne kiseline	Palmitinska kiselina; Stearinska kiselina
Сродна једињења	Heptadekanol; Heptadekanal
	; ; Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
	Infobox references

Heptadekanska kiselina ili margarinska kiselina je zasićena masna kiselina.

Njena formula je CH₃(CH₂)₁₅COOH. Javlja se u masti i mlečnoj masti preživara.^[3]^[4]^[5]^[6] Soli i estri heptadekanske kiseline se zovu heptadekanoati.

Osobine uredi

Osobina	Vrednost
Particioni koeficijent^[7] (ALogP)	6,8
Rastvorljivost^[8] (logS, log(mol/L))	-7,2
Polarna površina^[9] (PSA, Å²)	37,3

Reference uredi

↑ 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
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit
↑ R. P. HANSEN, F. B. SHORLAND & N. JUNE COOKE (1957). „Occurrence in Butterfat of n-Heptadecanoic Acid (Margaric Acid)”. Nature 179 (98). DOI:10.1038/179098a0.
↑ Lide David R., ur. (2006). CRC Handbook of Chemistry and Physics (87th izd.). Boca Raton, FL: CRC Press. 0-8493-0487-3.
↑ Susan Budavari, ur. (2001). The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (13th izd.). Merck Publishing. ISBN 0-911910-13-1.
↑ „Human Metabolome Database, HMDB02259”. Pristupljeno 8. 11. 2008.
↑ 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 uredi

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.

Spoljašnje veze uredi

Portal Hemija

Heptadecanoic acid

[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] Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit

[3] R. P. HANSEN, F. B. SHORLAND & N. JUNE COOKE (1957). „Occurrence in Butterfat of n-Heptadecanoic Acid (Margaric Acid)”. Nature 179 (98). DOI:10.1038/179098a0.

[CRC-4] Lide David R., ur. (2006). CRC Handbook of Chemistry and Physics (87th izd.). Boca Raton, FL: CRC Press. 0-8493-0487-3.

[Merck13th-5] Susan Budavari, ur. (2001). The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (13th izd.). Merck Publishing. ISBN 0-911910-13-1.

[6] „Human Metabolome Database, HMDB02259”. Pristupljeno 8. 11. 2008.

[7] 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.

[8] 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.

[9] 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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