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Kethoxal

CAT: 0931-T25570-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25570-01Size:100 mg
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CAS Number
27762-78-3
Target
Others
Related Pathways
Others
Bioactivity
Kethoxal is an antiviral. It acts by modifies guanine containing oligoribonucleotides by reacting selectively with guanine in polynucleotides.
Smiles
C(C(OCC)C)(C(O)O)=O
Molecular Formula
C6H12O4
Molecular Weight
148.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kethoxal

1,1-dihydroxy-3-ethoxy-2-butanone is a butanone derivative having two hydroxy substituents at the 1-position and an ethoxy substituent at the 3-position. It has a role as an antiinfective agent. It is a butanone and an aldehyde hydrate.

CAS Number27762-78-3
PubChem CID34006
IUPAC Name3-ethoxy-1,1-dihydroxybutan-2-one
Molecular FormulaC6H12O4
Molecular Weight148.16
XLogP-0.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
CCOC(C)C(=O)C(O)O
InChI
InChI=1S/C6H12O4/c1-3-10-4(2)5(7)6(8)9/h4,6,8-9H,3H2,1-2H3
InChIKey
YRCRRHNVYVFNTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kethoxal
CAS: 27762-78-3
CID: 34006
Formula: C6H12O4
MW: 148.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.16
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass148.07355886
Monoisotopic Mass148.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-133839Kethoxal
A8793-25N3-kethoxal

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