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Vitamin A-d5 Acetate

CAT: 0931-TMID-0304-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0304-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217219-62-9
Bioactivity
Vitamin A-d5 Acetate is a deuterated compound of Vitamin A Acetate. Vitamin A Acetate has a CAS number of 127-47-9. Vitamin A is a group of unsaturated nutritional hydrocarbons, that contains retinal, retinol, retinoic acid, and several provitamins A carotenoids, among which beta-carotene is the most important.
Smiles
C(=CC(=CC=CC(=CCOC(C)=O)C)C)C=1C(C)(C)CCC(C1C([2H])([2H])[2H])([2H])[2H]
Molecular Formula
C22H27D5O2
Molecular Weight
333.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vitamin A-d5 Acetate
CAS Number1217219-62-9
PubChem CID45040693
IUPAC Name[(2E,4E,6E,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenyl] acetate
Molecular FormulaC22H32O2
Molecular Weight333.5
XLogP6.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity595
SMILES
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)(C)C)[2H]
InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+/i3D3,11D2
InChIKey
QGNJRVVDBSJHIZ-XWXKJAMKSA-N
Chemical Structure
2D Structure
2D structure of Vitamin A-d5 Acetate
CAS: 1217219-62-9
CID: 45040693
Formula: C22H32O2
MW: 333.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.5
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass333.271613989
Monoisotopic Mass333.271613989
Topological Polar Surface Area26.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity595
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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