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Monensin A

CAT: 0543-M067-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0543-M067-5MGSize:5 mg
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CAS Number
17090-79-8
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C36H62O11
Molecular Weight
670.8
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Monensin

Monensin A is a spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle. It has a role as an ionophore, an antifungal agent and a coccidiostat. It is a monocarboxylic acid, a polyether antibiotic, a cyclic hemiketal and a spiroketal.

CAS Number17090-79-8
PubChem CID441145
IUPAC Name(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
Molecular FormulaC36H62O11
Molecular Weight670.9
XLogP4.2
Topological Polar Surface Area153
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count47
Formal Charge0
Complexity1110
SMILES
CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C
InChI
InChI=1S/C36H62O11/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)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1
InChIKey
GAOZTHIDHYLHMS-KEOBGNEYSA-N
Chemical Structure
2D Structure
2D structure of Monensin
CAS: 17090-79-8
CID: 441145
Formula: C36H62O11
MW: 670.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight670.9
XLogP34.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass670.42921279
Monoisotopic Mass670.42921279
Topological Polar Surface Area153 Ų
Heavy Atom Count47
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes