AG005ACO

75748-36-6 | D-Threonine benzyl ester, HCl

AG005ACO

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CAS Number	75748-36-6
Catalog Number	AG005ACO(AGN-PC-0WAM8B)
Chemical Name	D-Threonine benzyl ester, HCl
IUPAC Name	benzyl (2R,3S)-2-amino-3-hydroxybutanoate;hydrochloride
InChI	InChI=1S/C11H15NO3.ClH/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3;1H/t8-,10+;/m0./s1
InChI Key	IDZGTFSDZJVMSD-KXNXZCPBSA-N
MDL Number	MFCD28975347
Molecular Formula	C11H16ClNO3
Molecular Weight	245.7026
SMILES	C[C@H](O)[C@@H](N)C(OCC1=CC=CC=C1)=O.[H]Cl
Synonyms	75748-36-6, H-D-Thr-OBzl.HCl, D-Threonine Benzyl Ester Hydrochloride, AK170255, Benzyl D-threoninate--hydrogen chloride (1/1), D-Threonine benzyl ester, HCl, CTK8B2280, DTXSID70719950, KS-00000SZ0, ANW-36663, MFCD28975347, AKOS025289491, DS-7560, TC-125408, H-D-Thr-OBzl inverted exclamation mark currencyHCl, Benzyl D-threoninate hydrochloride (1:1), T2788,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	245.082g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	245.703g/mol
Monoisotopic Mass	245.082g/mol
Rotatable Bond Count	5
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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