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2,5-Hexanedione-d10

CAT: 0804-HY-Y0315S-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0315S-01Size:25 mg
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Description
2,5-Hexanedione-d10 is the deuterium labeled 2,5-Hexanedione[1].
CAS Number
97135-07-4
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C(C([2H])([2H])C([2H])([2H])C(C([2H])([2H])[2H])=O)=O
Molecular Formula
C6D10O2
Molecular Weight
124.20
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2,5-Hexanedione-D10
CAS Number97135-07-4
PubChem CID12203605
IUPAC Name1,1,1,3,3,4,4,6,6,6-decadeuteriohexane-2,5-dione
Molecular FormulaC6H10O2
Molecular Weight124.20
XLogP-0.3
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity91
SMILES
[2H]C([2H])([2H])C(=O)C([2H])([2H])C([2H])([2H])C(=O)C([2H])([2H])[2H]
InChI
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKey
OJVAMHKKJGICOG-MWUKXHIBSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Hexanedione-D10
CAS: 97135-07-4
CID: 12203605
Formula: C6H10O2
MW: 124.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.20
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass124.130847017
Monoisotopic Mass124.130847017
Topological Polar Surface Area34.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity91.1
Isotope Atom Count10
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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