2-[(2R,4aR,6S,7S,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione


Chemical Name: 2-[(2R,4aR,6S,7S,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
CAS Number: 97276-95-4
Product Number: AG006D4M(AGN-PC-040LGR)
Synonyms:
MDL No:
Molecular Formula: C22H21NO7
Molecular Weight: 411.4046

Identification/Properties


Computed Properties
Molecular Weight:
411.41g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
411.132g/mol
Monoisotopic Mass:
411.132g/mol
Topological Polar Surface Area:
94.5A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
642
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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