Monensin

C36H62O11CAS 17090-79-8670.88 g/mol

Open in Covalent MOL file
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AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C36H62O11
Molar mass
670.88 g/mol
Exact mass
670.4292 Da
Melting point
103–105 °C
pKa
6.6 (in 66% N,N-dimethylformamide)
Water solubility
slightly soluble
logP
4.27Crippen 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

Danger
Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

NITE-CMC, via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P280, P301+P316, P302+P352, P308+P316, P319, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
17090-79-8
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
InChIKey
GAOZTHIDHYLHMS-KEOBGNEYSA-N
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

Weigh it out

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

Names and synonyms

10 names
  • 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-
  • 1,6-Dioxaspiro[4.5]decane, monensin deriv.
  • Monensic acid
  • Monensin A
  • Elancoban
  • Monelan
  • Stereoisomer of 2-[2-ethyloctahydro-3′-methyl-5′-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl][2,2′-bifuran]-5-yl]-9-hydroxy-β-methoxy-α,γ,2,8-tetramethyl-1,6-dioxaspiro[4.5]decane-7-butanoic acid
  • A 3823A
  • Rumensin CRC
  • Rumensin 90

Work with Monensin

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.

Monensin sodium22373-78-0Salt

Similar compounds

Nigericin28380-24-752 % similar Maduramycin ammonium84878-61-549 % similar Sodium nigericin28643-80-344 % similar Salinomycin53003-10-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook