Hahimicin

Hahimicin
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	D01AA03 (WHO) G01AA06 J02AA02
PubChem	CID 11979956
ChemSpider	10153168^Y
Hemijski podaci
Formula	C₁₁₆H₁₆₈N₄O₃₆
Molarna masa	2194,580
SMILES CC(CCC(O)CC(=O)c1ccc(N)cc1)C2OC(=O)CC(=O)CCCC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C2C)O3)C(=O)O.CC(CCC(O)CC(=O)c5ccc(N)cc5)C6OC(=O)CC(=O)CC(O)CC(O)CCCC(O)CC(O)CC7(O)CC(O)C(C(CC(O[C@@H]8O[C@H](C)[C@@H](O)[C@H](N)[C@@H]8O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C/C6C)O7)C(=O)O
InChI InChI=1S/2C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-44(65)28-43(64)27-40(61)18-16-19-41(62)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38;1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)28-41(62)19-16-18-40(61)27-43(64)29-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40,42-46,48-49,51-55,57,61,63-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73);4-15,17,20,22-25,35-37,40-43,45-46,48-49,51-55,57,61-64,66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4-,8-6-,9-7-,12-10-,13-11-,17-14-,20-15-;5-4+,8-6+,9-7+,12-10+,13-11+,17-14-,20-15+/t35?,36?,37-,40?,42?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?;35?,36?,37-,40?,41?,42?,43?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m11/s1^Y Key:RZWQQZWPVPHLSY-UGMBPVHXSA-N^Y

Hahimicin je organsko jedinjenje, koje sadrži 116 atoma ugljenika i ima molekulsku masu od 2194,580 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	40
Broj donora vodonika	24
Broj rotacionih veza	20
Particioni koeficijent^[1] (ALogP)	-1,1
Rastvorljivost^[2] (logS, log(mol/L))	-22,3
Polarna površina^[3] (PSA, Å²)	719,1

Reference

^ 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.

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.