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Home > Other Heterocycles > 848084-56-0
848084-56-0 | 6-Oxa-3-azabicyclo[3.2.1]octan-2-one, 1,8-dihydroxy-, (1R,5S,8R)-
CAS No: 848084-56-0 Catalog No: AG004NFL MDL No:
Product Description
Catalog Number:
AG004NFL
Chemical Name:
6-Oxa-3-azabicyclo[3.2.1]octan-2-one, 1,8-dihydroxy-, (1R,5S,8R)-
CAS Number:
848084-56-0
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
(1R,5S,8R)-1,8-dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C6H9NO4/c8-4-3-1-7-5(9)6(4,10)2-11-3/h3-4,8,10H,1-2H2,(H,7,9)/t3-,4+,6+/m0/s1
InChI Key:
QVCLPRPWHFBMTQ-MRKVFDINSA-N
SMILES:
O=C1NC[C@H]2[C@H]([C@]1(O)CO2)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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