AG003A5X

60538-18-3 | H-D-Allo-Thr-OMe HCl

AG003A5X

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CAS Number	60538-18-3
Catalog Number	AG003A5X(AGN-PC-0OD4DM)
Chemical Name	H-D-Allo-Thr-OMe HCl
IUPAC Name	methyl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
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
InChI Key	OZSJLLVVZFTDEY-VKKIDBQXSA-N
MDL Number	MFCD08458597
Molecular Formula	C5H12ClNO3
Molecular Weight	169.6067
SMILES	N[C@H]([C@H](O)C)C(OC)=O.[H]Cl
Synonyms	60538-18-3, H-D-ALLO-THR-OME HCL, (2R,3R)-Methyl 2-amino-3-hydroxybutanoate hydrochloride, H-D-allo-Thr-OMe.HCl, D(-)-allo-Threonine methyl ester hydrochloride, AK162652, H-D-allo-Threonine methyl ester hydrochloride, H-D-allo-Thr-OMe . HCl, H-D-Allo-thr-OMe hydrochloride, SCHEMBL16342740, KS-00000SML, KM0413, MFCD08458597, AKOS025146497, D(-)-allo-Threonine methyl ester HCl, Methyl D-allo-threoninate hydrochloride, AS-19078, SC-83393, AX8273892, D-Allothreonine, methyl ester, hydrochloride, FT-0698671, X4361, C5H12ClNO3, OZSJLLVVZFTDEY-VKKIDBQXSA-N, ACN-026279, D-Allothreonine, methyl ester, hydrochloride (1:1), H-D-allo-Thr-OMe inverted exclamation mark currency HCl,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	169.051g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	169.605g/mol
Monoisotopic Mass	169.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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