Nigericin sodiumProduct ingredient for Nigericin
- Name
- Nigericin sodium
- Drug Entry
- Nigericin
A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. (From Merck Index, 11th ed)
- Accession Number
- DBSALT002784
- Structure
- Synonyms
- Nigericin sodium salt / Nigericin, monosodium salt / Nigericin, sodium salt (1:1) / Sodium nigericin
- UNII
- DGN38HI976
- CAS Number
- 28643-80-3
- Weight
- Average: 746.955
Monoisotopic: 746.45810726 - Chemical Formula
- C40H67NaO11
- InChI Key
- MOYOTUKECQMGHE-PDEFJWSRSA-M
- InChI
- InChI=1S/C40H68O11.Na/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34;/h21-35,41,44H,11-20H2,1-10H3,(H,42,43);/q;+1/p-1/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+;/m0./s1
- IUPAC Name
- sodium (2R)-2-[(2R,3S,6R)-6-{[(2S,4R,5R,7R,9R,10R)-2-[(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl}-3-methyloxan-2-yl]propanoate
- SMILES
- [Na+].[H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(C)CC[C@@]([H])(O1)[C@]1(C)C[C@@H](C)[C@]2(O1)O[C@]([H])(C[C@@]1([H])CC[C@H](C)[C@@]([H])(O1)[C@@H](C)C([O-])=O)C[C@@H](OC)[C@H]2C)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C
- External Links
- ChemSpider
- 17347093
- ChEMBL
- CHEMBL2165715
- Predicted Properties
Property Value Source Water Solubility 0.00147 mg/mL ALOGPS logP 4.49 ALOGPS logP 6.11 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 4.07 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 145.2 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 199.93 m3·mol-1 Chemaxon Polarizability 81.61 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon