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H-Asn-OtBu

CAT: 0121-4030375.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4030375.0001Size:1 g
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CAS Number
25456-86-4
Specifications
E-1385.0001
Sequence
H-Asn-OtBu
Molecular Formula
C₈H₁₆N₂O₃
Molecular Weight
188.23
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

L-Asparagine tert-butyl ester
CAS Number25456-86-4
PubChem CID6995006
IUPAC Nametert-butyl (2S)-2,4-diamino-4-oxobutanoate
Molecular FormulaC8H16N2O3
Molecular Weight188.22
XLogP-0.9
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity208
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H2,10,11)/t5-/m0/s1
InChIKey
VLLGKVRQXXHELH-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of L-Asparagine tert-butyl ester
CAS: 25456-86-4
CID: 6995006
Formula: C8H16N2O3
MW: 188.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.22
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass188.11609238
Monoisotopic Mass188.11609238
Topological Polar Surface Area95.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity208
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

CatalogName
5-02453H-Asn-OtBu
5-02458H-Asn(Trt)-OtBu
5-07164Z-Asn-OtBu
5-06320Fmoc-Asn-OtBu
5-02468H-D-Asn(Trt)-OtBu·HCl
HY-20167H-Glu (OtBu) -OtBu
A7175-5000H-Glu(OtBu)-OtBu·HCl
HY-W013291H-Asp (OtBu) -OtBu.HCl
HY-20167A-01H-Glu (OtBu) -OtBu (hydrochloride)
5-02506H-Asp(OtBu)-OtBu·HCl

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