Dihidrostreptomicin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Dihidrostreptomicin

Dihidrostreptomicin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	128-46-1^Y
ATC kod	S01AA15 (WHO) QA07AA90 QJ01GA90 QJ51GA90
PubChem	CID 439369
UNII	P2I6R8W6UA^Y
ChEMBL	CHEMBL1950576^Y
Hemijski podaci
Formula	C₂₁H₄₁N₇O₁₂
Molarna masa	583,590
SMILES CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)CO
InChI InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)^Y Key:ASXBYYWOLISCLQ-UHFFFAOYSA-N^Y

Dihidrostreptomicin je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 583,590 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	19
Broj donora vodonika	13
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	-6,5
Rastvorljivost^[2] (logS, log(mol/L))	-0,7
Polarna površina^[3] (PSA, Å²)	339,6

^ 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.

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.