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Nigericin Sodium Salt

CAT: 0572-TRC-N598523-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N598523-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28643-80-3
Synonyms
1,6-Dioxaspiro[4.5]decane, Nigericin deriv.; Antibiotic K 178; Antibiotic M 2; Antibiotic X 464; Azalomycin M; Helixin C; Polyetherin A; Stereoisomer of Tetrahydro-6-[[9-methoxy-2,4,10-trimethyl-2-[octahydro-2,3'-dimethyl-5'-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]methyl]-α,3-dimethyl-2H-pyran-2-acetic Acid; X 464
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
C[C@H]1CC[C@H](C[C@@H]2C[C@H]([C@@H](C)[C@]3([C@H](C)C[C@@](C)([C@H]4CC[C@@](C)([C@H]5[C@@H](C)C[C@H]([C@@H]6[C@@H](C)C[C@@H](C)[C@@](CO)(O)O6)O5)O4)O3)O2)OC)O[C@H]1[C@@H](C)C(=O)[O-].[Na+]
Molecular Formula
C40H67NaO11
Molecular Weight
746.94
Shipping Conditions
Room Temperature
Storage Conditions
-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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Alternative Products

CatalogName
T3092-01Nigericin sodium salt
BML-CA421-0005Nigericin . sodium salt
HY-100381-01Nigericin (sodium salt)

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