Monensin sodiumProduct ingredient for Monensin
- Name
- Monensin sodium
- Drug Entry
- Monensin
Monensin is a polyether isolated from Streptomyces cinnamonensis that presents antibiotic properties. It is widely used in ruminant animal feeds.
- Accession Number
- DBSALT001710
- Structure
Structure for Monensin sodium (DBSALT001710)
- Synonyms
- Monensin sodium / Sodium monensin
- UNII
- 1GS872GAFV
- CAS Number
- 22373-78-0
- Weight
- Average: 692.863
Monoisotopic: 692.41115706 - Chemical Formula
- C36H61NaO11
- InChI Key
- XOIQMTLWECTKJL-PDHYURILSA-M
- InChI
- InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1
- IUPAC Name
- sodium (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2S,2'S,3'R,5R,5'S)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3'-methyl-[2,2'-bioxolan]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate
- SMILES
- [Na+].[H][C@]1(C[C@@H](C)[C@]([H])(O1)[C@]1(CC)CC[C@@]([H])(O1)[C@@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@H](C)[C@H](OC)[C@@H](C)C([O-])=O)O1)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C
- External Links
- ChemSpider
- 4588363
- Predicted Properties
Property Value Source Water Solubility 0.00578 mg/mL ALOGPS logP 3.01 ALOGPS logP 4.82 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 4.24 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 156.2 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 183.22 m3·mol-1 Chemaxon Polarizability 73.35 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon