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DL-Valine-d2

CAT: 0804-HY-W012889S4-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W012889S4-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DL-Valine-d2 is the deuterium labeled DL-Valine[1].
CAS Number
83181-79-7
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CC(C)([2H])C(N)([2H])C(O)=O
Molecular Formula
C5H9D2NO2
Molecular Weight
119.16
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
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

DL-Valine-2,3-D2
CAS Number83181-79-7
PubChem CID90477514
IUPAC Name2-amino-2,3-dideuterio-3-methylbutanoic acid
Molecular FormulaC5H11NO2
Molecular Weight119.16
XLogP-2.3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity90
SMILES
[2H]C(C)(C)C([2H])(C(=O)O)N
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i3D,4D
InChIKey
KZSNJWFQEVHDMF-NMQOAUCRSA-N
Chemical Structure
2D Structure
2D structure of DL-Valine-2,3-D2
CAS: 83181-79-7
CID: 90477514
Formula: C5H11NO2
MW: 119.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.16
XLogP3-2.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass119.091532086
Monoisotopic Mass119.091532086
Topological Polar Surface Area63.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity90.4
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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