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Boc-L-Ala-OH-d3

CAT: 0804-HY-41121S3-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-41121S3-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-L-Ala-OH-d3 is the deuterium labeled Boc-L-Ala-OH[1].
CAS Number
161602-47-7
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
0.9802
Solubility
10 mM in DMSO
Smiles
CC(C)(C)OC(N[C@@H](C([2H])([2H])[2H])C(O)=O)=O
Molecular Formula
C8H12D3NO4
Molecular Weight
192.23
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-Alanine-3,3,3-D3-N-T-boc
CAS Number161602-47-7
PubChem CID10081291
IUPAC Name(2S)-3,3,3-trideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC8H15NO4
Molecular Weight192.23
XLogP0.9
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity207
SMILES
[2H]C([2H])([2H])[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i1D3
InChIKey
QVHJQCGUWFKTSE-MQBGRFPLSA-N
Chemical Structure
2D Structure
2D structure of L-Alanine-3,3,3-D3-N-T-boc
CAS: 161602-47-7
CID: 10081291
Formula: C8H15NO4
MW: 192.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.23
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass192.11893820
Monoisotopic Mass192.11893820
Topological Polar Surface Area75.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity207
Isotope Atom Count3
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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HY-41121S6-01Boc-L-Ala-OH-d
HY-W039756-01Boc-Ala-Ala-OH
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HY-41121S2-01Boc-L-Ala-OH-2-13C
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B1270-01Boc-L-Ala-OH
4001154.0005Boc-Ala-Ala-OH
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