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Fmoc-p-Bz-Phe-OH

CAT: 0121-4017859.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4017859.0001Size:1 g
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CAS Number
117666-96-3
Specifications
B-2220.0001
Synonyms
Fmoc-Bpa-OH
Sequence
Fmoc-p-Bz-Phe-OH
Molecular Formula
C₃₁H₂₅NO₅
Molecular Weight
491.54
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

Fmoc-Bpa-OH
CAS Number117666-96-3
PubChem CID14233360
IUPAC Name(2S)-3-(4-benzoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC31H25NO5
Molecular Weight491.5
XLogP6
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity777
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C31H25NO5/c33-29(21-8-2-1-3-9-21)22-16-14-20(15-17-22)18-28(30(34)35)32-31(36)37-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-17,27-28H,18-19H2,(H,32,36)(H,34,35)/t28-/m0/s1
InChIKey
SYOBJKCXNRQOGA-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Bpa-OH
CAS: 117666-96-3
CID: 14233360
Formula: C31H25NO5
MW: 491.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.5
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass491.17327290
Monoisotopic Mass491.17327290
Topological Polar Surface Area92.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity777
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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