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VitaminA-d6

CAT: 0931-TMIJ-0092-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0092-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2483831-77-0
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
VitaminA-d6 is a deuterated compound of VitaminA. VitaminA has a CAS number of 68-26-8.
Smiles
C(=C/C(=C/C=C/C(=C/CO)/C([2H])([2H])[2H])/C([2H])([2H])[2H])\C=1C(C)(C)CCCC1C
Molecular Formula
C20H24D6O
Molecular Weight
292.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Retinol-d6
CAS Number2483831-77-0
PubChem CID163196489
IUPAC Name(2E,4E,6E,8E)-3,7-bis(trideuteriomethyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
Molecular FormulaC20H30O
Molecular Weight292.5
XLogP5.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity496
SMILES
[2H]C([2H])([2H])/C(=C\CO)/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)\C([2H])([2H])[2H]
InChI
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+/i1D3,2D3
InChIKey
FPIPGXGPPPQFEQ-ILKHKWFDSA-N
Chemical Structure
2D Structure
2D structure of Retinol-d6
CAS: 2483831-77-0
CID: 163196489
Formula: C20H30O
MW: 292.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight292.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass292.267326052
Monoisotopic Mass292.267326052
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity496
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes