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Vitamin A-d5

CAT: 0804-HY-B1342S4Size: 1 mgDry Ice: YesHazardous: No
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CAT#:0804-HY-B1342S4Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185244-58-9
UNSPSC Description
Vitamin A-d55 is the deuterium labeled Vitamin A[1].
Target Antigen
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.0
Solubility
10 mM in DMSO
Smiles
OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C([2H])([2H])[2H])C([2H])([2H])CCC1(C)C
Molecular Weight
291.48
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.
Shipping Conditions
Dry Ice
Storage Conditions
-80°C, protect from light, stored under nitrogen
Clinical Information
No Development Reported

Chemical Information

Retinol-d5
CAS Number1185244-58-9
PubChem CID45040357
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-tetraen-1-ol
Molecular FormulaC20H30O
Molecular Weight291.5
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]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/CO)/C)/C)(C)C)[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+/i3D3,10D2
InChIKey
FPIPGXGPPPQFEQ-LHAZDGMOSA-N
Chemical Structure
2D Structure
2D structure of Retinol-d5
CAS: 1185244-58-9
CID: 45040357
Formula: C20H30O
MW: 291.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass291.261049306
Monoisotopic Mass291.261049306
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity496
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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