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Fmoc-His (Trt) -OH

CAT: 1489-F1220-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:1489-F1220-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109425-51-6
Purity
0.98

Chemical Information

N-((9H-Fluoren-9-ylmethoxy)carbonyl)-1-(triphenylmethyl)-L-histidine
CAS Number109425-51-6
PubChem CID11422193
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid
Molecular FormulaC40H33N3O4
Molecular Weight619.7
XLogP7.5
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count47
Formal Charge0
Complexity967
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m0/s1
InChIKey
XXMYDXUIZKNHDT-QNGWXLTQSA-N
Chemical Structure
2D Structure
2D structure of N-((9H-Fluoren-9-ylmethoxy)carbonyl)-1-(triphenylmethyl)-L-histidine
CAS: 109425-51-6
CID: 11422193
Formula: C40H33N3O4
MW: 619.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight619.7
XLogP37.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass619.24710654
Monoisotopic Mass619.24710654
Topological Polar Surface Area93.5 Ų
Heavy Atom Count47
Formal Charge0
Complexity967
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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