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Nigericin sodium salt

CAT: 0607-B7644-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7644-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ionophore that exchanges K+ for H+ across biological membranes
CAS Number
28643-80-3
Product Name Alternative
sodium (S)-2-((2R,3S,6R)-6-(((2S,4S,5R,7R,9S,10R)-2-((2R,2'R,3'S,5R,5'R)-5'-((2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-2,3'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-
Purity
0.98
Solubility
insoluble in H2O; insoluble in DMSO; ≥74.7 mg/mL in EtOH
Smiles
O[C@@]1(CO)O[C@@H]([C@@H](C)C[C@H]1C)[C@@H]2O[C@H]([C@@H](C)C2)[C@]3(C)O[C@H](CC3)[C@@]4(C)O[C@]([C@@H](C)C4)([C@@H]5C)O[C@H](C[C@@H]6O[C@@H]([C@@H](C([O-])=O)C)[C@@H](C)CC6)C[C@@H]5OC.[Na+]
Molecular Formula
C40H67NaO11
Molecular Weight
746.94
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Nigericin Sodium
CAS Number28643-80-3
PubChem CID16760591
IUPAC Namesodium (2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoate
Molecular FormulaC40H67NaO11
Molecular Weight746.9
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count52
Formal Charge0
Complexity1240
SMILES
C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)[O-])C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC.[Na+]
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
InChIKey
MOYOTUKECQMGHE-PDEFJWSRSA-M
Chemical Structure
2D Structure
2D structure of Nigericin Sodium
CAS: 28643-80-3
CID: 16760591
Formula: C40H67NaO11
MW: 746.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight746.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass746.45810723
Monoisotopic Mass746.45810723
Topological Polar Surface Area145 Ų
Heavy Atom Count52
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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