chempirical

Lasalocid sodium

C34H53NaO8CAS 25999-20-6612.78 g/mol

Open in Covalent MOL file
OOHOHO−OOHOONa+
AlcoholCarboxylic acidEtherKetonePhenol

Properties

Molecular formula
C34H53NaO8
Molar mass
612.78 g/mol
Exact mass
612.3638 Da
Melting point
168–171 °C
logP
5.46Crippen estimate
Polar surface area
133.5 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
13
Stereocentres
R, S, S, R, S, S, R, R, S, 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
25999-20-6
SMILES
CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C([O-])=O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C.[Na+]
InChIKey
JCKLHIQQJWLHGH-HWLWSTNVSA-N
InChI
InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/m1./s1

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

Names and synonyms

12 names
  • Benzoic acid, 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methyl-, sodium salt (1:1)
  • 2,3-Cresotic acid, 6-[7-[5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-, monosodium salt, (-)-
  • Benzoic acid, 6-[7-[5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methyl-, monosodium salt, [2R-[2α[2S*(3R*,4S*,5S*,7R*),3S*,5S*],5α,6β]]-
  • Benzoic acid, 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methyl-, monosodium salt
  • Ro 2-2985
  • Sodium lasalocid A
  • Avatec
  • Sodium lasalocid
  • Lasalocid sodium salt
  • Bovatec
  • MT 2007
  • NSC 243046

Work with Lasalocid 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

Similar compounds

Salinomycin sodium55721-31-842 % similar Salinomycin53003-10-438 % similar

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

Elsewhere

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