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Fmoc-Ala-OH-d1

CAT: 0804-HY-W009204S8-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W009204S8-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fmoc-Ala-OH-d is the deuterium labeled Fmoc-Ala-OH[1].
CAS Number
225101-64-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
C[C@](C(O)=O)([2H])NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O
Molecular Formula
C18H16DNO4
Molecular Weight
312.34
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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

L-Alanine-2-D1-N-fmoc
CAS Number225101-64-4
PubChem CID102602322
IUPAC Name(2R)-2-deuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC18H17NO4
Molecular Weight312.3
XLogP3.1
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity430
SMILES
[2H][C@@](C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m1/s1/i11D
InChIKey
QWXZOFZKSQXPDC-GYPYJKACSA-N
Chemical Structure
2D Structure
2D structure of L-Alanine-2-D1-N-fmoc
CAS: 225101-64-4
CID: 102602322
Formula: C18H17NO4
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass312.12203477
Monoisotopic Mass312.12203477
Topological Polar Surface Area75.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity430
Isotope Atom Count1
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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