Home Carboxys (3aS,3bR,6aR,7aS)-5-benzyl 2-tert-butyl 6a-(hydroxymethyl)octahydro-1H-cyclopenta[1,2-c:3,4-c']dipyrrole-2,5-dicarboxylate

(3aS,3bR,6aR,7aS)-5-benzyl 2-tert-butyl 6a-(hydroxymethyl)octahydro-1H-cyclopenta[1,2-c:3,4-c']dipyrrole-2,5-dicarboxylate

CAS No.:
1357353-08-2
Catalog Number:
AG01DGCK
Molecular Formula:
C23H32N2O5
Molecular Weight:
416.5106
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Product Description
Catalog Number:
AG01DGCK
Chemical Name:
(3aS,3bR,6aR,7aS)-5-benzyl 2-tert-butyl 6a-(hydroxymethyl)octahydro-1H-cyclopenta[1,2-c:3,4-c']dipyrrole-2,5-dicarboxylate
CAS Number:
1357353-08-2
Molecular Formula:
C23H32N2O5
Molecular Weight:
416.5106
MDL Number:
MFCD22209394
IUPAC Name:
4-O-benzyl 10-O-tert-butyl (1S,2R,6R,8S)-6-(hydroxymethyl)-4,10-diazatricyclo[6.3.0.02,6]undecane-4,10-dicarboxylate
InChI:
InChI=1S/C23H32N2O5/c1-22(2,3)30-21(28)24-10-17-9-23(15-26)14-25(12-19(23)18(17)11-24)20(27)29-13-16-7-5-4-6-8-16/h4-8,17-19,26H,9-15H2,1-3H3/t17-,18+,19-,23-/m1/s1
InChI Key:
JTWBIGATXVXFBO-ISJRUSPKSA-N
SMILES:
OC[C@@]12C[C@H]3[C@@H]([C@H]2CN(C1)C(=O)OCc1ccccc1)CN(C3)C(=O)OC(C)(C)C
Properties
Complexity:
657  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
416.231g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
416.518g/mol
Monoisotopic Mass:
416.231g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties