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H-D-Asp-OtBu

CAT: 0121-4028966.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4028966.0001Size:1 g
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CAS Number
148823-36-3
Specifications
F-3855.0001
Sequence
H-D-Asp-OtBu
Molecular Formula
C₈H₁₅NO₄
Molecular Weight
189.21
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

H-D-Asp-OtBu
CAS Number148823-36-3
PubChem CID7019653
IUPAC Name(3R)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Molecular FormulaC8H15NO4
Molecular Weight189.21
XLogP-2.6
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity207
SMILES
CC(C)(C)OC(=O)[C@@H](CC(=O)O)N
InChI
InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m1/s1
InChIKey
PUWCNJZIFKBDJQ-RXMQYKEDSA-N
Chemical Structure
2D Structure
2D structure of H-D-Asp-OtBu
CAS: 148823-36-3
CID: 7019653
Formula: C8H15NO4
MW: 189.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight189.21
XLogP3-2.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass189.10010796
Monoisotopic Mass189.10010796
Topological Polar Surface Area89.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity207
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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