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Home > Other Heterocycles > 6698-32-4
6698-32-4 | 4-methoxy-3-(4-methylphenyl)sulfonyloxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decan-2-ol
CAS No: 6698-32-4 Catalog No: AG006MZG MDL No:
Product Description
Catalog Number:
AG006MZG
Chemical Name:
4-methoxy-3-(4-methylphenyl)sulfonyloxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decan-2-ol
CAS Number:
6698-32-4
Molecular Formula:
C21H24O8S
Molecular Weight:
436.4755
IUPAC Name:
(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C21H24O8S/c1-13-8-10-15(11-9-13)30(23,24)29-19-17(22)18-16(27-21(19)25-2)12-26-20(28-18)14-6-4-3-5-7-14/h3-11,16-22H,12H2,1-2H3
InChI Key:
BBWKTKLCLZHSJW-UHFFFAOYSA-N
SMILES:
COC1OC2COC(OC2C(C1OS(=O)(=O)c1ccc(cc1)C)O)c1ccccc1
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.119g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.475g/mol
Monoisotopic Mass:
436.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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