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Boc-Glu (OtBu) -OH

CAT: 0121-4002938.0025Size: 25 gDry Ice: NoHazardous: No
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CAT#:0121-4002938.0025Size:25 g
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CAS Number
13726-84-6
Specifications
A-1675.0025
Sequence
Boc-Glu (OtBu) -OH
Molecular Formula
C₁₄H₂₅NO₆
Molecular Weight
303.36
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

(2S)-5-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CAS Number13726-84-6
PubChem CID6993432
IUPAC Name(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Molecular FormulaC14H25NO6
Molecular Weight303.35
XLogP1.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity391
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-10(16)8-7-9(11(17)18)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,17,18)/t9-/m0/s1
InChIKey
YGSRAYJBEREVRB-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (2S)-5-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CAS: 13726-84-6
CID: 6993432
Formula: C14H25NO6
MW: 303.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight303.35
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass303.16818752
Monoisotopic Mass303.16818752
Topological Polar Surface Area102 Ų
Heavy Atom Count21
Formal Charge0
Complexity391
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