Home Aminos oxolan-3-yl (3S)-3-(aminomethyl)-5-methylhexanoate, trifluoroacetic acid

oxolan-3-yl (3S)-3-(aminomethyl)-5-methylhexanoate, trifluoroacetic acid

CAS No.:
1955485-27-4
Catalog Number:
AG01B3ZE
Molecular Formula:
C14H24F3NO5
Molecular Weight:
343.3393
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Product Description
Catalog Number:
AG01B3ZE
Chemical Name:
oxolan-3-yl (3S)-3-(aminomethyl)-5-methylhexanoate, trifluoroacetic acid
CAS Number:
1955485-27-4
Molecular Formula:
C14H24F3NO5
Molecular Weight:
343.3393
MDL Number:
MFCD29991764
IUPAC Name:
oxolan-3-yl (3S)-3-(aminomethyl)-5-methylhexanoate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C12H23NO3.C2HF3O2/c1-9(2)5-10(7-13)6-12(14)16-11-3-4-15-8-11;3-2(4,5)1(6)7/h9-11H,3-8,13H2,1-2H3;(H,6,7)/t10-,11?;/m0./s1
InChI Key:
ZLBSAHFFVKGAOM-JMFXEUCVSA-N
SMILES:
OC(=O)C(F)(F)F.NC[C@H](CC(=O)OC1COCC1)CC(C)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
343.161g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
343.343g/mol
Monoisotopic Mass:
343.161g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties