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1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol;6-hydroxy-6-oxohexanoate

1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol;6-hydroxy-6-oxohexanoate structure

CAS No:
79677-09-1
Formula:
C22H27NO8
Chemical Name:
1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol;6-hydroxy-6-oxohexanoate
Synonyms:
1,2,3,4-Tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-4,6-isoquinolinediol hexanedioate H2O (4:2:1);4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-, hexanedioate, hydrate (4:2:1)

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1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol;6-hydroxy-6-oxohexanoate Basic Attributes

Molecular Weight：

433.5 g/mol

Exact Mass：

433.17366682 g/mol

Characteristics

PSA：

164 Å²

Computed Properties

Molecular Weight:433.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:433.17366682
Monoisotopic Mass:433.17366682
Topological Polar Surface Area:164
Heavy Atom Count:31
Complexity:477
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol;6-hydroxy-6-oxohexanoate

Basic Attributes
Characteristics
Computed Properties

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