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N-Me-Thr-OH

CAT: 0121-4029013.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4029013.0001Size:1 g
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CAS Number
2812-28-4
Specifications
E-3480.0001
Sequence
N-Me-Thr-OH
Molecular Formula
C₅H₁₁NO₃
Molecular Weight
133.15
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

N-Methyl-L-threonine
CAS Number2812-28-4
PubChem CID7010355
IUPAC Name(2S,3R)-3-hydroxy-2-(methylamino)butanoic acid
Molecular FormulaC5H11NO3
Molecular Weight133.15
XLogP-3.1
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity104
SMILES
C[C@H]([C@@H](C(=O)O)NC)O
InChI
InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4+/m1/s1
InChIKey
CCAIIPMIAFGKSI-DMTCNVIQSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-L-threonine
CAS: 2812-28-4
CID: 7010355
Formula: C5H11NO3
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP3-3.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass133.07389321
Monoisotopic Mass133.07389321
Topological Polar Surface Area69.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity104
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes