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Fmoc-Phe (CF2PO3) -OH

CAT: 0127-PC111700-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-PC111700-01Size:25 mg
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CAS Number
160751-44-0
Purity
98%
Smiles
OC(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)NC(=O)OCC2C3=C(C=CC=C3)C4=C2C=CC=C4

Chemical Information

Fmoc-Phe(CF2PO3)-OH
CAS Number160751-44-0
PubChem CID11763031
IUPAC Name(2S)-3-[4-[difluoro(phosphono)methyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC25H22F2NO7P
Molecular Weight517.4
XLogP3.4
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity822
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C(F)(F)P(=O)(O)O)C(=O)O
InChI
InChI=1S/C25H22F2NO7P/c26-25(27,36(32,33)34)16-11-9-15(10-12-16)13-22(23(29)30)28-24(31)35-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,28,31)(H,29,30)(H2,32,33,34)/t22-/m0/s1
InChIKey
XKWYQNFAGUNPJV-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Phe(CF2PO3)-OH
CAS: 160751-44-0
CID: 11763031
Formula: C25H22F2NO7P
MW: 517.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.4
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass517.11019536
Monoisotopic Mass517.11019536
Topological Polar Surface Area133 Ų
Heavy Atom Count36
Formal Charge0
Complexity822
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

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