AG002DB4

201274-81-9 | D-Threonine, O-(1,1-dimethylethyl)-

AG002DB4

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CAS Number	201274-81-9
Catalog Number	AG002DB4(AGN-PC-0QS0NV)
Chemical Name	D-Threonine, O-(1,1-dimethylethyl)-
IUPAC Name	(2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
InChI	InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m0/s1
InChI Key	NMJINEMBBQVPGY-NTSWFWBYSA-N
MDL Number	MFCD00171400
Molecular Formula	C8H17NO3
Molecular Weight	175.2255
SMILES	N[C@H]([C@@H](OC(C)(C)C)C)C(O)=O
Synonyms	H-D-THR(TBU)-OH, 201274-81-9, O-tert-Butyl-D-threonine, (2R,3S)-2-amino-3-(tert-butoxy)butanoic acid, D-Threonine,O-(1,1-dimethylethyl)-, AK-88973, O-tert.Butyl-D-threonine, O-T-BUTYL-D-THREONINE, SCHEMBL1770797, CTK5J1304, DTXSID40628429, ZINC8575909, MFCD00171400, AM82266, D-Threonine, O-(1,1-dimethylethyl)-, KS-00000M13, AJ-57635, AS-19070, SC-09893, AX8005516, RT-013198, CS-0043728, ST24047352, X4320, M-2710, C-06031, O-tert inverted exclamation mark currencyButyl-D-threonine, O-ter.Butyl-D-threonine, C8H17NO3, ACN-033606,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	175.121g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	175.228g/mol
Monoisotopic Mass	175.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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