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100291-86-9 | Ethanone, 1-[2-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-4-methoxyphenyl]-
CAS No: 100291-86-9 Catalog No: AG0001GO MDL No:
Product Description
Catalog Number:
AG0001GO
Chemical Name:
Ethanone, 1-[2-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-4-methoxyphenyl]-
CAS Number:
100291-86-9
IUPAC Name:
1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone
InChI:
InChI=1S/C20H28O12/c1-9(22)11-4-3-10(28-2)5-12(11)31-18-16(25)15(24)14(23)13(32-18)6-29-19-17(26)20(27,7-21)8-30-19/h3-5,13-19,21,23-27H,6-8H2,1-2H3
InChI Key:
IRLNKOAURQPXIQ-UHFFFAOYSA-N
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.158g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
460.432g/mol
Monoisotopic Mass:
460.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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