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825632-40-4 | Cyclohexanone, 2-(acetyloxy)-3-azido-5-hydroxy-, (2S,3R,5R)-
CAS No: 825632-40-4 Catalog No: AG005DQB MDL No:
Product Description
Catalog Number:
AG005DQB
Chemical Name:
Cyclohexanone, 2-(acetyloxy)-3-azido-5-hydroxy-, (2S,3R,5R)-
CAS Number:
825632-40-4
Molecular Formula:
C8H11N3O4
Molecular Weight:
213.1906
IUPAC Name:
[(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] acetate
InChI:
InChI=1S/C8H11N3O4/c1-4(12)15-8-6(10-11-9)2-5(13)3-7(8)14/h5-6,8,13H,2-3H2,1H3/t5-,6-,8+/m1/s1
InChI Key:
GSSHGHSPNLABST-JKMUOGBPSA-N
SMILES:
[N-]=[N+]=N[C@@H]1C[C@@H](O)CC(=O)[C@H]1OC(=O)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
213.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.193g/mol
Monoisotopic Mass:
213.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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