Peruvozid

Peruvozid

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	1182-87-2^Y
ATC kod	C01AX02 (WHO)
PubChem	CID 14449
ChemSpider	16498835^Y
ChEMBL	CHEMBL1075790^Y
Sinonimi	(3S,5R,10R,13R,14S,17R)- 3-[(2S,5R)- 3,5-dihydroxy- 4-methoxy- 6-methyloxan- 2-yl]oxy- 14-hydroxy- 13-methyl- 17-(5-oxo-2H-furan-3-yl)- 1,2,3,4,5,6,7,8,9,11,12,15,16,17- tetradecahydrocyclopenta[a]phenanthrene- 10-carbaldehyde
Hemijski podaci
Formula	C30H44O9
Molarna masa	548,665
SMILES CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@@]5(C)[C@H](CC[C@@]45O)C6=CC(=O)OC6)C2)[C@H]1O
InChI InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29-,30+/m0/s1^Y Key:PMTSPAGBAFCORP-LPUICVFYSA-N^Y

Peruvozid je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 548,665 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	9
Broj donora vodonika	3
Broj rotacionih veza	5
Particioni koeficijent[1] (ALogP)	2,1
Rastvorljivost[2] (logS, log(mol/L))	-4,7
Polarna površina[3] (PSA, Å^2)	131,8

Reference

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. 
2. 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. 
3. 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. 

Literatura

• Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803. 
• Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799. 

Spoljašnje veze

• Peruvoside

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