chempirical

Monensin sodium

C36H61NaO11CAS 22373-78-0692.86 g/mol

Open in Covalent MOL file
OOHOOHOHOO−OOOONa+
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C36H61NaO11
Molar mass
692.86 g/mol
Exact mass
692.4112 Da
Melting point
267–269 °C
logP
3.89Crippen estimate
Polar surface area
153.4 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
10
Stereocentres
S, R, R, S, R, R, S, S, R, S, R, S, R, S, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
22373-78-0
SMILES
CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C([O-])=O)O3)O2)O1.[Na+]
InChIKey
JJYGTKRWVAEORV-FBZUZRIGSA-N
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);/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Monensin, sodium salt (1:1)
  • 1,6-Dioxaspiro[4.5]decane-7-butyric acid, 2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-β-methoxy-α,γ,2,8-tetramethyl-, monosodium salt
  • Monensin, monosodium salt
  • Monensin sodium salt
  • Rumensin
  • Sodium monensin
  • Coban 45
  • Coban
  • Monensin A sodium salt
  • NSC 343257
  • CRC Rumensin
  • Kexxtone

Work with Monensin sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Monensin17090-79-8Free acid

Similar compounds

Sodium nigericin28643-80-354 % similar Maduramycin ammonium84878-61-547 % similar Nigericin28380-24-743 % similar Salinomycin sodium55721-31-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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