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Boc-Asp (OtBu) -OH

CAT: 0121-4025872.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4025872.0005Size:5 g
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CAS Number
1676-90-0
Specifications
A-2950.0005
Sequence
Boc-Asp (OtBu) -OH
Molecular Formula
C₁₃H₂₃NO₆
Molecular Weight
289.33
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

Boc-Asp(OtBu)-OH

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CAS Number1676-90-0
PubChem CID7010636
IUPAC Name(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Molecular FormulaC13H23NO6
Molecular Weight289.32
XLogP1.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count20
Formal Charge0
Complexity377
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m0/s1
InChIKey
PHJDCONJXLIIPW-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Boc-Asp(OtBu)-OH
CAS: 1676-90-0
CID: 7010636
Formula: C13H23NO6
MW: 289.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.32
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass289.15253745
Monoisotopic Mass289.15253745
Topological Polar Surface Area102 Ų
Heavy Atom Count20
Formal Charge0
Complexity377
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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