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Fmoc-Asn(Trt)-OH

CAT: 0607-A7357-100000Size: 100 gDry Ice: NoHazardous: No
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CAT#:0607-A7357-100000Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132388-59-1
Product Name Alternative
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid
Field of Research
Amino Acids & Building Blocks Fmoc-Amino Acids and Derivatives
Purity
0.994
Solubility
≥51.2 mg/mL in DMSO; ≥12.93 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
Molecular Formula
C38H32N2O5
Molecular Weight
596.7
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Fmoc-Asn(Trt)-OH
CAS Number132388-59-1
PubChem CID640248
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid
Molecular FormulaC38H32N2O5
Molecular Weight596.7
XLogP6.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity931
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C38H32N2O5/c41-35(40-38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28)24-34(36(42)43)39-37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33/h1-23,33-34H,24-25H2,(H,39,44)(H,40,41)(H,42,43)/t34-/m0/s1
InChIKey
KJYAFJQCGPUXJY-UMSFTDKQSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Asn(Trt)-OH
CAS: 132388-59-1
CID: 640248
Formula: C38H32N2O5
MW: 596.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.7
XLogP36.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass596.23112213
Monoisotopic Mass596.23112213
Topological Polar Surface Area105 Ų
Heavy Atom Count45
Formal Charge0
Complexity931
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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