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Vitamin K3-d8

CAT: 0931-TMIH-0600-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIH-0600-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
478171-80-1
Target
Others
Related Pathways
Others
Bioactivity
Vitamin K3-d8 is a deuterated derivative of Vitamin K3, and Vitamin K3-d8, like Menadione (Vitamin K3), is a synthetic naphthoquinone lacking the isoprenoid side chain and intrinsic biological activity; however, Vitamin K3-d8 can be enzymatically converted into active Vitamin K2 (menaquinone) following in vivo alkylation, supporting research into vitamin K metabolism, biochemical labeling studies, and isotope-tracer investigations in metabolic and nutritional sciences.
Smiles
O=C1C=2C(C(=O)C(=C1C([2H])([2H])[2H])[2H])=C(C(=C(C2[2H])[2H])[2H])[2H]
Molecular Formula
C11D8O2
Molecular Weight
180.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Menadione-d8
CAS Number478171-80-1
PubChem CID53442274
IUPAC Name2,5,6,7,8-pentadeuterio-3-(trideuteriomethyl)naphthalene-1,4-dione
Molecular FormulaC11H8O2
Molecular Weight180.23
XLogP2.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity288
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
InChIKey
MJVAVZPDRWSRRC-JGUCLWPXSA-N
Chemical Structure
2D Structure
2D structure of Menadione-d8
CAS: 478171-80-1
CID: 53442274
Formula: C11H8O2
MW: 180.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.23
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass180.102643461
Monoisotopic Mass180.102643461
Topological Polar Surface Area34.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity288
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-132389S-01Vitamin K3-d8
TRC-V676130-50MGVitamin K3
C08154-50mgMenadione (Vitamin K3)
HY-B1342S-01Vitamin A-d8

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