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Boc-Asn (Xan) -OH

CAT: 0127-OR1063304-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1063304-01Size:5 g
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CAS Number
65420-40-8
MDL Number
MFCD00066157
Purity
98%
Smiles
O=C(NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)C[C@@H](C(O)=O)NC(OC(C)(C)C)=O

Chemical Information

Boc-L-Asparagine(Xanthyl)
CAS Number65420-40-8
PubChem CID7017974
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid
Molecular FormulaC22H24N2O6
Molecular Weight412.4
XLogP2.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity624
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m0/s1
InChIKey
YMGDQLXBNMRJMR-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Boc-L-Asparagine(Xanthyl)
CAS: 65420-40-8
CID: 7017974
Formula: C22H24N2O6
MW: 412.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass412.16343649
Monoisotopic Mass412.16343649
Topological Polar Surface Area114 Ų
Heavy Atom Count30
Formal Charge0
Complexity624
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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Alternative Products

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4007622.0100Boc-Asn (Xan) -OH
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A-4030.0001Boc-D-Asn(Xan)-OH
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468927-01Z-Asn (Xan) -OH
450420-01Fmoc-asn (xan) -oh
450514-01Fmoc-d-asn (xan) -oh
260286-01Z-D-Asn (Xan) -OH
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