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247068-85-5 | 1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-, (2S)-, 2,2,2-trifluoroacetate (1:1)
CAS No: 247068-85-5 Catalog No: AG002P3Q MDL No:MFCD28100284
Product Description
Catalog Number:
AG002P3Q
Chemical Name:
1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-, (2S)-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
247068-85-5
Molecular Formula:
C11H18F3NO4
Molecular Weight:
285.2601
MDL Number:
MFCD28100284
IUPAC Name:
(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H17NO2.C2HF3O2/c1-6(2)4-7(10)8(11)9(3)5-12-9;3-2(4,5)1(6)7/h6-7H,4-5,10H2,1-3H3;(H,6,7)/t7-,9+;/m0./s1
InChI Key:
OWGGQBZQMQMPBI-DKXTVVGFSA-N
SMILES:
OC(=O)C(F)(F)F.CC(C[C@@H](C(=O)[C@@]1(C)CO1)N)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
285.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.263g/mol
Monoisotopic Mass:
285.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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