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Galloflavin

CAT: 0607-B5716-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5716-10Size:10 mg
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Description
human lactate dehydrogenase (LDH) inhibitor
CAS Number
568-80-9
Product Name Alternative
potassium 3,9,10-trihydroxy-2,6-dioxo-2,6-dihydropyrano[3,2-c]isochromen-8-olate
Field of Research
Metabolism Dehydrogenase
Form
A crystalline solid
Solubility
Limited solubility, soluble in DMSO
Smiles
[O-]C1=C(O)C(O)=C(C(O2)=C(O3)C=C(O)C2=O)C(C3=O)=C1.[K+]
Molecular Formula
C12H5O8K
Molecular Weight
316.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Galloflavin
CAS Number568-80-9
PubChem CID135483971
IUPAC Name2,3,9,10-tetrahydroxypyrano[3,2-c]isochromene-6,8-dione
Molecular FormulaC12H6O8
Molecular Weight278.17
XLogP-0.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity729
SMILES
C1=C2C(=C3C(=CC(=C(O3)O)O)OC2=O)C(=C(C1=O)O)O
InChI
InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,14-16,18H
InChIKey
UXHISTVMLJLECY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Galloflavin
CAS: 568-80-9
CID: 135483971
Formula: C12H6O8
MW: 278.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight278.17
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass278.00626715
Monoisotopic Mass278.00626715
Topological Polar Surface Area134 Ų
Heavy Atom Count20
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes