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888723-91-9 | (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
CAS No: 888723-91-9 Catalog No: AG00GXQR MDL No:
Product Description
Catalog Number:
AG00GXQR
Chemical 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
CAS Number:
888723-91-9
IUPAC Name:
(2S,3S,4aR,7S,8aR)-6-iodo-2,3-dimethoxy-2,3,7-trimethyl-8,8a-dihydro-4aH-1,4-benzodioxin-7-ol
InChI:
InChI=1S/C13H21IO5/c1-11(15)7-9-8(6-10(11)14)18-12(2,16-4)13(3,17-5)19-9/h6,8-9,15H,7H2,1-5H3/t8-,9-,11+,12+,13+/m1/s1
InChI Key:
HWKCEKOCWQHZNV-QVWLAYSOSA-N
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
384.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.21g/mol
Monoisotopic Mass:
384.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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