Kitasamycin tartrateProduct ingredient for Kitasamycin
- Name
- Kitasamycin tartrate
- Drug Entry
- Kitasamycin
Kitasamycin is a macrolide antibiotic derived from Streptomyces kitasatoensis.
- Accession Number
- DBSALT001604
- Structure
Structure for Kitasamycin tartrate (DBSALT001604)
- Synonyms
- Leucomycin tartrate
- UNII
- IPN75MD9DR
- CAS Number
- 37280-56-1
- Weight
- Average: 849.965
Monoisotopic: 849.435814321 - Chemical Formula
- C40H67NO18
- InChI Key
- LCDBILLRZFJKMN-RKYMYSRXSA-N
- InChI
- InChI=1S/C36H61NO12.C4H6O6/c1-20-17-24(15-16-38)32(33(44-9)26(40)18-27(41)45-21(2)13-11-10-12-14-25(20)39)49-35-30(42)29(37(7)8)31(22(3)47-35)48-28-19-36(5,6)34(43)23(4)46-28;5-1(3(7)8)2(6)4(9)10/h10-12,14,16,20-26,28-35,39-40,42-43H,13,15,17-19H2,1-9H3;1-2,5-6H,(H,7,8)(H,9,10)/b11-10+,14-12+;/t20-,21-,22-,23-,24+,25+,26-,28-,29-,30-,31-,32+,33+,34-,35+;/m1./s1
- IUPAC Name
- 2,3-dihydroxybutanedioic acid; 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-{[(2R,5S,6R)-5-hydroxy-4,4,6-trimethyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- SMILES
- OC(C(O)C(O)=O)C(O)=O.CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2CC(C)(C)[C@H](O)[C@@H](C)O2)[C@@H]([C@H]1O)N(C)C
- External Links
- ChemSpider
- 21250872
- Predicted Properties
Property Value Source Water Solubility 0.238 mg/mL ALOGPS logP 2.38 ALOGPS logP 2.07 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 12.68 Chemaxon pKa (Strongest Basic) 7.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 173.68 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 182.39 m3·mol-1 Chemaxon Polarizability 76.16 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon