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115141-43-0 | D-Threonine, O-(1,1-dimethylethyl)-, methyl ester, hydrochloride (1:1)
CAS No: 115141-43-0 Catalog No: AG000GB4 MDL No:MFCD00237278
Product Description
Catalog Number:
AG000GB4
Chemical Name:
D-Threonine, O-(1,1-dimethylethyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
115141-43-0
Molecular Formula:
C9H20ClNO3
Molecular Weight:
225.7130
MDL Number:
MFCD00237278
IUPAC Name:
methyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
InChI:
InChI=1S/C9H19NO3.ClH/c1-6(13-9(2,3)4)7(10)8(11)12-5;/h6-7H,10H2,1-5H3;1H/t6-,7+;/m0./s1
InChI Key:
SDHKEUUZUMQSAD-UOERWJHTSA-N
SMILES:
COC(=O)[C@@H]([C@@H](OC(C)(C)C)C)N.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
225.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.713g/mol
Monoisotopic Mass:
225.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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