(4aR,6S,7R,8R,8aS)-6-(4-nitrophenoxy)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-7,8-diol


Chemical Name: (4aR,6S,7R,8R,8aS)-6-(4-nitrophenoxy)spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-7,8-diol
CAS Number: 102717-16-8
Product Number: AG00087L(AGN-PC-05J3YF)
Synonyms:
MDL No:
Molecular Formula: C18H23NO8
Molecular Weight: 381.3771

Identification/Properties


Computed Properties
Molecular Weight:
381.381g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
381.142g/mol
Monoisotopic Mass:
381.142g/mol
Topological Polar Surface Area:
123A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
526
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
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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