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Home > Pyridines > 1422068-18-5
1422068-18-5 | ((3S,4aS,8aR)-octahydro-2H-pyrano[3,2-c]pyridin-3-yl)(1,2-oxazinan-2-yl)methanone
CAS No: 1422068-18-5 Catalog No: AG01DHRV MDL No:
Product Description
Catalog Number:
AG01DHRV
Chemical Name:
((3S,4aS,8aR)-octahydro-2H-pyrano[3,2-c]pyridin-3-yl)(1,2-oxazinan-2-yl)methanone
CAS Number:
1422068-18-5
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
IUPAC Name:
[(3S,4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-3-yl]-(oxazinan-2-yl)methanone
InChI:
InChI=1S/C13H22N2O3/c16-13(15-5-1-2-6-18-15)11-7-10-8-14-4-3-12(10)17-9-11/h10-12,14H,1-9H2/t10-,11-,12+/m0/s1
InChI Key:
YAVSPRKFEGCDEW-SDDRHHMPSA-N
SMILES:
O=C(N1CCCCO1)[C@@H]1CO[C@H]2[C@@H](C1)CNCC2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
254.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.33g/mol
Monoisotopic Mass:
254.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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