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Fmoc-His(Boc)-OH.CHA

CAT: 0607-A6621-25000Size: 25 gDry Ice: NoHazardous: No
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CAT#:0607-A6621-25000Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81379-52-4
Product Name Alternative
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
Purity
0.98
Smiles
CC(C)(C)OC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Molecular Formula
C26H27N3O6
Molecular Weight
477.51
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Fmoc-His(Boc)-OH
CAS Number81379-52-4
PubChem CID11123631
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
Molecular FormulaC26H27N3O6
Molecular Weight477.5
XLogP4
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity762
SMILES
CC(C)(C)OC(=O)N1C=C(N=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H27N3O6/c1-26(2,3)35-25(33)29-13-16(27-15-29)12-22(23(30)31)28-24(32)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,13,15,21-22H,12,14H2,1-3H3,(H,28,32)(H,30,31)/t22-/m0/s1
InChIKey
ZRHPMMZWDWMKPD-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-His(Boc)-OH
CAS: 81379-52-4
CID: 11123631
Formula: C26H27N3O6
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass477.18998559
Monoisotopic Mass477.18998559
Topological Polar Surface Area120 Ų
Heavy Atom Count35
Formal Charge0
Complexity762
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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