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Home > Other Heterocycles > 189328-24-3
189328-24-3 | 1,7-Dioxaspiro[4.4]nonan-8-one, 3,4-bis(phenylmethoxy)-, (3R,4S,5R)-
CAS No: 189328-24-3 Catalog No: AG002IAC MDL No:
Product Description
Catalog Number:
AG002IAC
Chemical Name:
1,7-Dioxaspiro[4.4]nonan-8-one, 3,4-bis(phenylmethoxy)-, (3R,4S,5R)-
CAS Number:
189328-24-3
Molecular Formula:
C21H22O5
Molecular Weight:
354.3964
IUPAC Name:
(3R,4S,5R)-3,4-bis(phenylmethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
InChI:
InChI=1S/C21H22O5/c22-19-11-21(15-25-19)20(24-13-17-9-5-2-6-10-17)18(14-26-21)23-12-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2/t18-,20+,21-/m1/s1
InChI Key:
KQLHOXUEAVOPLX-HLAWJBBLSA-N
SMILES:
O=C1OC[C@@]2(C1)OC[C@H]([C@@H]2OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
354.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.402g/mol
Monoisotopic Mass:
354.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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