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69320-90-7 | l-threonine tert-butyl ester hydrochloride
CAS No: 69320-90-7 Catalog No: AG0035W7 MDL No:MFCD00672361
Product Description
Catalog Number:
AG0035W7
Chemical Name:
l-threonine tert-butyl ester hydrochloride
CAS Number:
69320-90-7
Molecular Formula:
C8H18ClNO3
Molecular Weight:
211.6864
MDL Number:
MFCD00672361
IUPAC Name:
tert-butyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloride
InChI:
InChI=1S/C8H17NO3.ClH/c1-5(10)6(9)7(11)12-8(2,3)4;/h5-6,10H,9H2,1-4H3;1H/t5-,6+;/m1./s1
InChI Key:
OWBFRQWDQDYNNF-IBTYICNHSA-N
SMILES:
C[C@H]([C@@H](C(=O)OC(C)(C)C)N)O.Cl
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.686g/mol
Monoisotopic Mass:
211.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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