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888723-91-9

888723-91-9 structural image
Product Name: (2S,3S,4aR,6S,8aR)-2,3,4a,5,6,8a-Hexahydro-7-iodo-2,3-diMethoxy-2,3,6-triMethyl-1,4-benzodioxin-6-ol
Formula: C13H21IO5
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COMPUTED DESCRIPTORS

Molecular Weight 384.21 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 384.04337 g/mol
Monoisotopic Mass 384.04337 g/mol
Topological Polar Surface Area 57.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 401
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