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70475-62-6 | [1,2,3,4-Tetrahydro-1-hydroxymethyl-6,7-dimethoxy-2-methylisoquinolin-5-yl]β-D-glucopyranoside
CAS No: 70475-62-6 Catalog No: AG00FU8Q MDL No:
Product Description
Catalog Number:
AG00FU8Q
Chemical Name:
[1,2,3,4-Tetrahydro-1-hydroxymethyl-6,7-dimethoxy-2-methylisoquinolin-5-yl]β-D-glucopyranoside
CAS Number:
70475-62-6
IUPAC Name:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl]oxy]oxane-3,4,5-triol
InChI:
InChI=1S/C19H29NO9/c1-20-5-4-9-10(11(20)7-21)6-12(26-2)18(27-3)17(9)29-19-16(25)15(24)14(23)13(8-22)28-19/h6,11,13-16,19,21-25H,4-5,7-8H2,1-3H3/t11?,13-,14-,15+,16-,19+/m1/s1
InChI Key:
ANLAXYVKKILUOM-XZHANKDNSA-N
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
415.184g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
415.439g/mol
Monoisotopic Mass:
415.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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