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H-Thr-OMe · HCl

CAT: 0121-4000503.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4000503.0005Size:5 g
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CAS Number
39994-75-7
Specifications
E-2455.0005
Sequence
H-Thr-OMe · HCl
Molecular Formula
C₅H₁₁NO₃ · HCl
Molecular Weight
169.61
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

Methyl L-threoninate hydrochloride
CAS Number39994-75-7
PubChem CID2734893
IUPAC Namemethyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloride
Molecular FormulaC5H12ClNO3
Molecular Weight169.61
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
C[C@H]([C@@H](C(=O)OC)N)O.Cl
InChI
InChI=1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3-,4+;/m1./s1
InChIKey
OZSJLLVVZFTDEY-HJXLNUONSA-N
Chemical Structure
2D Structure
2D structure of Methyl L-threoninate hydrochloride
CAS: 39994-75-7
CID: 2734893
Formula: C5H12ClNO3
MW: 169.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.61
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass169.0505709
Monoisotopic Mass169.0505709
Topological Polar Surface Area72.6 Ų
Heavy Atom Count10
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
5-03455H-Thr-OMe
MBS3848166-01H-Thr-OMe hydrochloride
HY-W008086-01H-Thr-OMe (hydrochloride)
A6738-100000H-D-Thr-OMe·HCl
HY-W042013-01H-Thr (tBu) -OMe.HCl
A23586-100000H-Thr-OMe hydrochloride 100g
HY-W008086A-01(Rac) -H-Thr-OMe (hydrochloride)
A23586-5000H-Thr-OMe hydrochloride 5000mg
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