Home Carboxys Racemic-(1S,3S,4R)-2-Benzyl 1-Tert-Butyl 3-Ethyl 2-Azaspiro[Bicyclo[2.2.1]Heptane-7,4-Piperidine]-1,2,3-Tricarboxylate

Racemic-(1S,3S,4R)-2-Benzyl 1-Tert-Butyl 3-Ethyl 2-Azaspiro[Bicyclo[2.2.1]Heptane-7,4-Piperidine]-1,2,3-Tricarboxylate

CAS No.:
1250997-96-6
Catalog Number:
AG00HHXX
Molecular Formula:
C26H36N2O6
Molecular Weight:
472.5738
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Product Description
Catalog Number:
AG00HHXX
Chemical Name:
Racemic-(1S,3S,4R)-2-Benzyl 1-Tert-Butyl 3-Ethyl 2-Azaspiro[Bicyclo[2.2.1]Heptane-7,4-Piperidine]-1,2,3-Tricarboxylate
CAS Number:
1250997-96-6
Molecular Formula:
C26H36N2O6
Molecular Weight:
472.5738
MDL Number:
MFCD28390416
IUPAC Name:
2-O-benzyl 1-O'-tert-butyl 3-O-ethyl spiro[2-azabicyclo[2.2.1]heptane-7,4'-piperidine]-1',2,3-tricarboxylate
InChI:
InChI=1S/C26H36N2O6/c1-5-32-22(29)21-19-11-12-20(28(21)24(31)33-17-18-9-7-6-8-10-18)26(19)13-15-27(16-14-26)23(30)34-25(2,3)4/h6-10,19-21H,5,11-17H2,1-4H3
InChI Key:
VAQUSINGXSODNH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1N(C(=O)OCc2ccccc2)C2C3(C1CC2)CCN(CC3)C(=O)OC(C)(C)C
Properties
Complexity:
764  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.257g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.582g/mol
Monoisotopic Mass:
472.257g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties