AG002DCZ

201353-89-1 | L-Allothreonine, O-(1,1-dimethylethyl)-

AG002DCZ

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CAS Number	201353-89-1
Catalog Number	AG002DCZ(AGN-PC-0QS3U0)
Chemical Name	L-Allothreonine, O-(1,1-dimethylethyl)-
IUPAC Name	(2S,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-WDSKDSINSA-N
MDL Number	MFCD00237373
Molecular Formula	C8H17NO3
Molecular Weight	175.2255
SMILES	C[C@H](OC(C)(C)C)[C@H](N)C(O)=O
Synonyms	H-ALLO-THR(TBU)-OH, 201353-89-1, O-tert-Butyl-L-allo-threonine, L-Allothreonine,O-(1,1-dimethylethyl)-, O-t-Butyl-L-threonine, AK174592, AC1OLRE8, (2S,3S)-2-Amino-3-tert-butoxybutyric acid, O-t-Butyl-allo-L-threonine, O-t-Butyl-L-allo-threonine, (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid, SCHEMBL8352984, CTK8E6320, KS-00000GCM, ZINC4899683, 7058AH, MFCD00237373, AKOS006274468, DS-8737, KS-00000M15, AK-45262, L-Allothreonine, O-(1,1-dimethylethyl)-, CS-0043729, FT-0693807, (2S,3S)-2-amino-3-tert-butoxybutanoic acid, K-5890, (2S,3S)-2-amino-3-(tert-butoxy)butanoic acid, H-Thr(tBu)-OH, C8H17NO3, CID7408444, 4378-13-6, 2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic Acid,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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