Home Carboxys (3S,6S)-5-[(tert-butoxy)carbonyl]-1,1-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid

(3S,6S)-5-[(tert-butoxy)carbonyl]-1,1-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid

CAS No.:
1980007-35-9
Catalog Number:
AG00ILER
Molecular Formula:
C12H17F2NO4
Molecular Weight:
277.2645
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$1357
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Product Description
Catalog Number:
AG00ILER
Chemical Name:
(3S,6S)-5-[(tert-butoxy)carbonyl]-1,1-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid
CAS Number:
1980007-35-9
Molecular Formula:
C12H17F2NO4
Molecular Weight:
277.2645
MDL Number:
MFCD28396445
IUPAC Name:
(3S,6S)-2,2-difluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
InChI:
InChI=1S/C12H17F2NO4/c1-10(2,3)19-9(18)15-6-11(5-12(11,13)14)4-7(15)8(16)17/h7H,4-6H2,1-3H3,(H,16,17)/t7-,11-/m0/s1
InChI Key:
OXXSWURHJYLTIL-CPCISQLKSA-N
SMILES:
O=C(N1C[C@]2(C[C@H]1C(=O)O)CC2(F)F)OC(C)(C)C
Properties
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
277.113g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.268g/mol
Monoisotopic Mass:
277.113g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties