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Boc-β-homo-Gln-OH

CAT: 0607-A6701-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-A6701-1000Size:1 g
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CAS Number
336182-06-0
Product Name Alternative
(S,E)-3-((tert-butoxy(hydroxy)methylene)amino)-6-hydroxy-6-iminohexanoic acid
Purity
0.98
Smiles
CC(C)(O/C(O)=N/[C@@](CC(O)=O)([H])CCC(O)=N)C
Molecular Formula
C11H20N2O5
Molecular Weight
260.29
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Boc-L-beta-Homoglutamine
CAS Number336182-06-0
PubChem CID2761810
IUPAC Name(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
Molecular FormulaC11H20N2O5
Molecular Weight260.29
XLogP-0.3
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity322
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)CC(=O)O
InChI
InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-7(6-9(15)16)4-5-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
InChIKey
DAUHTFNYHSOVRQ-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Boc-L-beta-Homoglutamine
CAS: 336182-06-0
CID: 2761810
Formula: C11H20N2O5
MW: 260.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight260.29
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass260.13722174
Monoisotopic Mass260.13722174
Topological Polar Surface Area119 Ų
Heavy Atom Count18
Formal Charge0
Complexity322
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