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Boc-Asn (Trt) -OH

CAT: 0862-GM9595-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GM9595-25gSize:25 g
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CAS Number
132388-68-2
MDL Number
MFCD00153299
HS Code
29242970990
Purity
98.00%
Molecular Formula
C28H30N2O5
Molecular Weight
474.55
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Boc-Asn(Trt)-OH
CAS Number132388-68-2
PubChem CID11385960
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(tritylamino)butanoic acid
Molecular FormulaC28H30N2O5
Molecular Weight474.5
XLogP4.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity668
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C28H30N2O5/c1-27(2,3)35-26(34)29-23(25(32)33)19-24(31)30-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t23-/m0/s1
InChIKey
PYGOCFDOBSXROC-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Boc-Asn(Trt)-OH
CAS: 132388-68-2
CID: 11385960
Formula: C28H30N2O5
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass474.21547206
Monoisotopic Mass474.21547206
Topological Polar Surface Area105 Ų
Heavy Atom Count35
Formal Charge0
Complexity668
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