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Chemical structure of Monensin methyl ester

GC75135

Monensin methyl ester

Also known as methyl (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-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-methylpentanoate

Monensin methyl ester, a neutral analog of Monensin , is an ion active component for Na+ selective disk electrodes

ChemicalCAS28636-21-7MW684.9FormulaC37H64O11
CAS number
28636-21-7
Molecular weight
684.9
Formula
C37H64O11
Solubility
Methanol： 50 mg/mL (73·00 mM; Need ultrasonic)
InChIKey
PFRZSHIENRKVSE-RJTHVKINSA-N
Catalogue number
GC75135
Brand
GLPBIO
Computed properties PubChem CID 176862 · XLogP 4.5 · TPSA 142 Ų · H-bond donors 3
XLogP
4.5
TPSA
142 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
48

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)OC)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

Computed descriptors from PubChem (CID 176862), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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