Salinomycin sodiumProduct ingredient for Salinomycin
- Name
- Salinomycin sodium
- Drug Entry
- Salinomycin
- Accession Number
- DBSALT001701
- Structure
Structure for Salinomycin sodium (DBSALT001701)
- Synonyms
- Not Available
- UNII
- 92UOD3BMEK
- CAS Number
- 55721-31-8
- Weight
- Average: 772.993
Monoisotopic: 772.47375732 - Chemical Formula
- C42H69NaO11
- InChI Key
- YPZYGIQXBGHDBH-UZHRAPRISA-M
- 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);/q;+1/p-1/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-;/m0./s1
- IUPAC Name
- sodium (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate
- SMILES
- [Na+].[H][C@@](C)(C(=O)[C@]([H])(CC)[C@@]1([H])O[C@@]2(O[C@@]3(CC[C@](C)(O3)[C@@]3([H])CC[C@](O)(CC)[C@]([H])(C)O3)[C@]([H])(O)C=C2)[C@]([H])(C)C[C@]1([H])C)[C@@]([H])(O)[C@]([H])(C)[C@]1([H])O[C@]([H])(CC[C@]1([H])C)[C@@]([H])(CC)C([O-])=O
- External Links
- ChemSpider
- 23253354
- BindingDB
- 50442913
- ChEMBL
- CHEMBL1077120
- Predicted Properties
Property Value Source Water Solubility 0.00245 mg/mL ALOGPS logP 4.98 ALOGPS logP 7.51 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 4.45 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 164.04 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 210.9 m3·mol-1 Chemaxon Polarizability 81.6 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon