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Home > Indoles and Oxindole > 91897-68-6
91897-68-6 | (1S,2R,8R,8aR)-1,2,8-Triacetoxy-octahydro-5-oxyindolizine
CAS No: 91897-68-6 Catalog No: AG0069ID MDL No:
Product Description
Catalog Number:
AG0069ID
Chemical Name:
(1S,2R,8R,8aR)-1,2,8-Triacetoxy-octahydro-5-oxyindolizine
CAS Number:
91897-68-6
Molecular Formula:
C14H19NO7
Molecular Weight:
313.3032
IUPAC Name:
[(1S,2R,8R,8aR)-1,2-diacetyloxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-8-yl] acetate
InChI:
InChI=1S/C14H19NO7/c1-7(16)20-10-4-5-12(19)15-6-11(21-8(2)17)14(13(10)15)22-9(3)18/h10-11,13-14H,4-6H2,1-3H3/t10-,11-,13-,14-/m1/s1
InChI Key:
KEMMPEFGJLZARI-HBJVGIJOSA-N
SMILES:
CC(=O)O[C@@H]1CN2[C@@H]([C@@H]1OC(=O)C)[C@@H](CCC2=O)OC(=O)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
313.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.306g/mol
Monoisotopic Mass:
313.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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