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204587-92-8 | Butanoic acid, 3-amino-2-hydroxy-, 1,1-dimethylethyl ester, (2S,3S)-
CAS No: 204587-92-8 Catalog No: AG0029L7 MDL No:MFCD01862138
Product Description
Catalog Number:
AG0029L7
Chemical Name:
Butanoic acid, 3-amino-2-hydroxy-, 1,1-dimethylethyl ester, (2S,3S)-
CAS Number:
204587-92-8
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
MDL Number:
MFCD01862138
IUPAC Name:
tert-butyl (2S,3S)-3-amino-2-hydroxybutanoate
InChI:
InChI=1S/C8H17NO3/c1-5(9)6(10)7(11)12-8(2,3)4/h5-6,10H,9H2,1-4H3/t5-,6-/m0/s1
InChI Key:
KMUQLNSVLPPTEO-WDSKDSINSA-N
SMILES:
C[C@@H]([C@@H](C(=O)OC(C)(C)C)O)N
Properties
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:
0
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