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Fmoc-D-Phe-OH-d5

CAT: 0804-HY-W011026S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W011026S-01Size:5 mg
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Description
Fmoc-D-Phe-OH-d5 is the deuterium labeled Fmoc-D-Phe-OH.
CAS Number
2714483-74-4
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C1=C([2H])C([2H])=C([2H])C([2H])=C1C[C@H](C(O)=O)NC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O
Molecular Formula
C24H16D5NO4
Molecular Weight
392.46
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

D-Phenyl-D5-alanine-N-FMOC
CAS Number2714483-74-4
PubChem CID131708695
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Molecular FormulaC24H21NO4
Molecular Weight392.5
XLogP4.6
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity551
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[2H])[2H]
InChI
InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1/i1D,2D,3D,8D,9D
InChIKey
SJVFAHZPLIXNDH-NEQPNFATSA-N
Chemical Structure
2D Structure
2D structure of D-Phenyl-D5-alanine-N-FMOC
CAS: 2714483-74-4
CID: 131708695
Formula: C24H21NO4
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass392.17844188
Monoisotopic Mass392.17844188
Topological Polar Surface Area75.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity551
Isotope Atom Count5
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes