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Pyridoxine-d3

CAT: 0931-TMIH-0466-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIH-0466-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190043-14-1
Target
NF-κB
Related Pathways
NF-κB
Bioactivity
Pyridoxine-d3 is a deuterated compound of Pyridoxine.
Smiles
[2H]C([2H])([2H])C1=NC=C(CO)C(CO)=C1O
Molecular Formula
C8H8D3NO3
Molecular Weight
172.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyridoxine-d3
CAS Number1190043-14-1
PubChem CID46782824
IUPAC Name4,5-bis(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol
Molecular FormulaC8H11NO3
Molecular Weight172.20
XLogP-0.8
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity142
SMILES
[2H]C([2H])([2H])C1=NC=C(C(=C1O)CO)CO
InChI
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3/i1D3
InChIKey
LXNHXLLTXMVWPM-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Pyridoxine-d3
CAS: 1190043-14-1
CID: 46782824
Formula: C8H11NO3
MW: 172.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight172.20
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass172.092723451
Monoisotopic Mass172.092723451
Topological Polar Surface Area73.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity142
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes