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Home > Other Heterocycles > 85281-06-7
85281-06-7 | 6,7,8-Trihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one
CAS No: 85281-06-7 Catalog No: AG004UYV MDL No:MFCD12755988
Product Description
Catalog Number:
AG004UYV
Chemical Name:
6,7,8-Trihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one
CAS Number:
85281-06-7
Molecular Formula:
C8H13NO6
Molecular Weight:
219.1919
MDL Number:
MFCD12755988
IUPAC Name:
6,7,8-trihydroxy-1-(hydroxymethyl)-2-oxa-4-azabicyclo[3.3.1]nonan-3-one
InChI:
InChI=1S/C8H13NO6/c10-2-8-1-3(9-7(14)15-8)4(11)5(12)6(8)13/h3-6,10-13H,1-2H2,(H,9,14)
InChI Key:
FTAQFNFNHWVZOF-UHFFFAOYSA-N
SMILES:
OCC12OC(=O)NC(C1)C(C(C2O)O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
219.193g/mol
Monoisotopic Mass:
219.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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