Home Carbonyls 1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1)

1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1)

CAS No.:
1192651-80-1
Catalog Number:
AG000IGW
Molecular Formula:
C23H46N4O6S
Molecular Weight:
506.6995
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Product Description
Catalog Number:
AG000IGW
Chemical Name:
1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1)
CAS Number:
1192651-80-1
Molecular Formula:
C23H46N4O6S
Molecular Weight:
506.6995
MDL Number:
MFCD29472347
IUPAC Name:
(2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) sulfate;tetrabutylazanium
InChI:
InChI=1S/C16H36N.C7H11N3O6S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h5-16H2,1-4H3;4-5H,1-3H2,(H2,8,11)(H,13,14,15)/q+1;/p-1
InChI Key:
QPZBFPHXHQWBHR-UHFFFAOYSA-M
SMILES:
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
EC Number:
812-038-2
Properties
Complexity:
560  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.314g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
506.703g/mol
Monoisotopic Mass:
506.314g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties