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(2R) -Octyl-α-hydroxyglutarate-d17

CAT: 0804-HY-103641AS1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103641AS1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(2R) -Octyl-α-hydroxyglutarate-d17 ((2R) -Octyl-2-HG-d17) is deuterium labeled (2R) -Octyl-α-hydroxyglutarate. (2R) -Octyl-α-hydroxyglutarate is a modified form of S-isomer 2-Hydroxyglutarate[1].
CAS Number
2748638-78-8
Product Name Alternative
(2R) -Octyl-2-HG-d17
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
OC(CC[C@H](C(OC([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])=O)O)=O
Molecular Formula
C13H7D17O5
Molecular Weight
277.43
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Sulkowski PL, et al. 2-Hydroxyglutarate produced by neomorphic IDH mutations suppresses homologousrecombination and induces PARP inhibitor sensitivity. Sci Transl Med. 2017 Feb 1;9 (375) .
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(2R)-Octyl-alpha-hydroxyglutarate-d17
CAS Number2748638-78-8
PubChem CID132285202
IUPAC Name(4R)-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctoxy)-4-hydroxy-5-oxopentanoic acid
Molecular FormulaC13H24O5
Molecular Weight277.43
XLogP2.8
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity240
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)[C@@H](CCC(=O)O)O
InChI
InChI=1S/C13H24O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h11,14H,2-10H2,1H3,(H,15,16)/t11-/m1/s1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,10D2
InChIKey
UJZOKTKSGUOCCM-XDYCJWJQSA-N
Chemical Structure
2D Structure
2D structure of (2R)-Octyl-alpha-hydroxyglutarate-d17
CAS: 2748638-78-8
CID: 132285202
Formula: C13H24O5
MW: 277.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.43
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass277.26907854
Monoisotopic Mass277.26907854
Topological Polar Surface Area83.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity240
Isotope Atom Count17
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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