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2-Amino-3-hydroxybutanoic acid

CAT: 0931-TN9404-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9404-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7004-04-8
Target
Others
Related Pathways
Others
Purity
0.9988
Bioactivity
2-Amino-3-hydroxybutanoic acid is an isomer of Threonine and an endogenous metabolite, widely used in biochemical experiments and drug synthesis research.
Smiles
O=C(O)C(N)C(O)C
Molecular Formula
C4H9NO3
Molecular Weight
119.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Amino-3-hydroxybutanoic acid

2-amino-3-hydroxybutanoic acid is an alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. It has a role as a plant metabolite.

CAS Number7004-04-8
PubChem CID205
IUPAC Name2-amino-3-hydroxybutanoic acid
Molecular FormulaC4H9NO3
Molecular Weight119.12
XLogP-2.9
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity93
SMILES
CC(C(C(=O)O)N)O
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChIKey
AYFVYJQAPQTCCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-3-hydroxybutanoic acid
CAS: 7004-04-8
CID: 205
Formula: C4H9NO3
MW: 119.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.12
XLogP3-2.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass119.058243149
Monoisotopic Mass119.058243149
Topological Polar Surface Area83.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity93.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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