chempirical

Salinomycin sodium

C42H69NaO11CAS 55721-31-8772.99 g/mol

Open in Covalent MOL file
O−OOHOOOHOHOOOONa+
AcetalAlcoholAlkeneCarboxylic acidEtherKetone

Properties

Molecular formula
C42H69NaO11
Molar mass
772.99 g/mol
Exact mass
772.4738 Da
Melting point
117–118 °C
logP
5.81Crippen estimate
Polar surface area
161.2 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
12
Stereocentres
R, R, S, R, S, S, S, R, S, R, R, S, S, R, R, 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
55721-31-8
SMILES
CC[C@@H](C([O-])=O)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1.[Na+]
InChIKey
PNDPFHFAPNOECJ-UZHRAPRISA-N
InChI
InChI=1S/C42H70O11.Na/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33;/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47);/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-;/m0./s1

Weigh it out

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

Names and synonyms

10 names
  • Salinomycin, sodium salt (1:1)
  • Salinomycin, monosodium salt
  • 1,6,8-Trioxadispiro[4.1.5.3]pentadecane, salinomycin deriv.
  • Salinomycin sodium salt
  • Sodium salinomycin
  • Salinopharm-premix
  • Sacox
  • Synvertas plv. a.u.v.
  • Kokcisan 120G
  • Kokcisan

Work with Salinomycin 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.

Salinomycin53003-10-4Free acid

Similar compounds

Lasalocid sodium25999-20-642 % similar Monensin sodium22373-78-035 % similar Sodium nigericin28643-80-331 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook