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Usnic Acid sodium

CAT: 0931-T5694-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T5694-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34769-44-3
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Purity
>99.99%
Bioactivity
Usnic Acid sodium is a natual product.
Smiles
O=C(C)C1=C(OC2=CC(C(C(C23C)=O)C(C)=O)=O)C3=C(O)C(C)=C1[O-].[Na+]
Molecular Formula
C18H15NaO7
Molecular Weight
366.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sodium usnate

structure in first source

CAS Number34769-44-3
PubChem CID91667963
IUPAC Namesodium 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-2-ide-1,3-dione
Molecular FormulaC18H15NaO7
Molecular Weight366.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity714
SMILES
CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)[C-](C3=O)C(=O)C)O2)C)C(=O)C)O.[Na+]
InChI
InChI=1S/C18H15O7.Na/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,22-23H,1-4H3;/q-1;+1
InChIKey
XAIVUDQXALPCBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sodium usnate
CAS: 34769-44-3
CID: 91667963
Formula: C18H15NaO7
MW: 366.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight366.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass366.07154710
Monoisotopic Mass366.07154710
Topological Polar Surface Area118 Ų
Heavy Atom Count26
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes