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Boc-L-Valine-d8

CAT: 0804-HY-W002300S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W002300S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-L-Valine-d8 is the deuterium labeled Boc-L-Valine[1].
CAS Number
153568-33-3
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.62
Solubility
10 mM in DMSO
Smiles
CC(C)(C)OC(N[C@@](C(O)=O)([2H])C(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=O
Molecular Formula
C10H11D8NO4
Molecular Weight
225.31
Precautions
H302, H315, H319, H335
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

L-Valine-d8-N-t-BOC
CAS Number153568-33-3
PubChem CID71308953
IUPAC Name(2S)-2,3,4,4,4-pentadeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trideuteriomethyl)butanoic acid
Molecular FormulaC10H19NO4
Molecular Weight225.31
XLogP1.5
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity242
SMILES
[2H][C@@](C(=O)O)(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1/i1D3,2D3,6D,7D
InChIKey
SZXBQTSZISFIAO-SSOOLOFBSA-N
Chemical Structure
2D Structure
2D structure of L-Valine-d8-N-t-BOC
CAS: 153568-33-3
CID: 71308953
Formula: C10H19NO4
MW: 225.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.31
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass225.18162205
Monoisotopic Mass225.18162205
Topological Polar Surface Area75.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity242
Isotope Atom Count8
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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