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82334-16-5 | N-[(2R,3S)-3-(2,5-dihydroxyphenyl)-5-hydroxy-3-methyl-2H-benzofuran-2-yl]-N-methyl-propanamide
CAS No: 82334-16-5 Catalog No: AG005DXL MDL No:
Product Description
Catalog Number:
AG005DXL
Chemical Name:
N-[(2R,3S)-3-(2,5-dihydroxyphenyl)-5-hydroxy-3-methyl-2H-benzofuran-2-yl]-N-methyl-propanamide
CAS Number:
82334-16-5
Molecular Formula:
C19H21NO5
Molecular Weight:
343.3737
IUPAC Name:
N-[(2R,3S)-3-(2,5-dihydroxyphenyl)-5-hydroxy-3-methyl-2H-1-benzofuran-2-yl]-N-methylpropanamide
InChI:
InChI=1S/C19H21NO5/c1-4-17(24)20(3)18-19(2,13-9-11(21)5-7-15(13)23)14-10-12(22)6-8-16(14)25-18/h5-10,18,21-23H,4H2,1-3H3/t18-,19+/m1/s1
InChI Key:
LEAHLTNJVPIDGO-MOPGFXCFSA-N
SMILES:
CCC(=O)N([C@@H]1Oc2c([C@]1(C)c1cc(O)ccc1O)cc(cc2)O)C
NSC Number:
365085
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
343.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.379g/mol
Monoisotopic Mass:
343.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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