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2725-94-2 | (R)-3,4-Dimethoxy-α-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol
CAS No: 2725-94-2 Catalog No: AG00BVME MDL No:
Product Description
Catalog Number:
AG00BVME
Chemical Name:
(R)-3,4-Dimethoxy-α-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol
CAS Number:
2725-94-2
IUPAC Name:
(R)-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanol
InChI:
InChI=1S/C22H27NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24/h5-6,9,18-19,24-25H,7-8,10-11H2,1-4H3/t18-,19-/m1/s1
InChI Key:
BHLLOBXLOWXZDQ-RTBURBONSA-N
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
417.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
417.458g/mol
Monoisotopic Mass:
417.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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