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Fmoc-p-fluoro-Phe-OH

CAT: 0121-4026602.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4026602.0005Size:5 g
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CAS Number
169243-86-1
Specifications
B-2835.0005
Sequence
Fmoc-p-fluoro-Phe-OH
Molecular Formula
C₂₄H₂₀FNO₄
Molecular Weight
405.43
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoro-L-phenylalanine
CAS Number169243-86-1
PubChem CID2734466
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid
Molecular FormulaC24H20FNO4
Molecular Weight405.4
XLogP4.7
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity584
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)F)C(=O)O
InChI
InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
IXUMACXMEZBPJG-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoro-L-phenylalanine
CAS: 169243-86-1
CID: 2734466
Formula: C24H20FNO4
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass405.13763628
Monoisotopic Mass405.13763628
Topological Polar Surface Area75.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes