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1422137-10-7 | isoxazolidin-2-yl((3aR,5R,7aR)-octahydropyrano[3,2-b]pyrrol-5-yl)methanone
CAS No: 1422137-10-7 Catalog No: AG01DKC1 MDL No:
Product Description
Catalog Number:
AG01DKC1
Chemical Name:
isoxazolidin-2-yl((3aR,5R,7aR)-octahydropyrano[3,2-b]pyrrol-5-yl)methanone
CAS Number:
1422137-10-7
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
IUPAC Name:
[(3aR,5R,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone
InChI:
InChI=1S/C11H18N2O3/c14-11(13-6-1-7-15-13)10-3-2-8-9(16-10)4-5-12-8/h8-10,12H,1-7H2/t8-,9-,10-/m1/s1
InChI Key:
DGDAQXRRJVUZSC-OPRDCNLKSA-N
SMILES:
O=C(N1CCCO1)[C@H]1CC[C@@H]2[C@H](O1)CCN2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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