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Fmoc-Aib-OH-d3

CAT: 0804-HY-79648S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-79648S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fmoc-Aib-OH-d3 is the deuterium labeled Fmoc-Aib-OH. Fmoc-Aib-OH is an alanine derivative[1].
CAS Number
1216885-36-7
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CC(C([2H])([2H])[2H])(NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C(O)=O
Molecular Formula
C19H16D3NO4
Molecular Weight
328.38
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Fmoc-methylalanine-d3
CAS Number1216885-36-7
PubChem CID46781643
IUPAC Name3,3,3-trideuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
Molecular FormulaC19H19NO4
Molecular Weight328.4
XLogP3.2
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity468
SMILES
[2H]C([2H])([2H])C(C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)/i1D3
InChIKey
HOZZVEPRYYCBTO-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-methylalanine-d3
CAS: 1216885-36-7
CID: 46781643
Formula: C19H19NO4
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass328.15023833
Monoisotopic Mass328.15023833
Topological Polar Surface Area75.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity468
Isotope Atom Count3
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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