7-Isoquinolinol, 1,2,3,4-Tetrahydro-1- (4-Hydroxyphenyl) Methyl-Synthyl-6-Methoxy-, (1S)-

: IUPACName：(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol; CAS Registry Number: 486-39-5; Masse moléculaire：285.343

1. Namen und Bezeichner

: 1.1 Produktname; 7-Isoquinolinol, 1,2,3,4-Tetrahydro-1- (4-Hydroxyphenyl) Methyl-Synthyl-6-Methoxy-, (1S)-; 1.2 Synonyme; (-)-Coclaurine (1S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol (1S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol (3S)-3-(4-Hydroxybenzyl)-6-methoxy-5-indanol (RS)-coclaurine (S)-1-(4-Hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol (S)-1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline (S)-1,2,3,4-Tetrahydro-1-(p-hydroxybenzyl)-6-methoxy-7-isoquinolinol (S)-Coclaurine (S)-colaurine [S,(+)]-1,2,3,4-Tetrahydro-1-(4-hydroxybenzyl)-6-methoxyisoquinolin-7-ol 1H-Inden-5-ol, 2,3-dihydro-3-[(4-hydroxyphenyl)methyl]-6-methoxy-, (3S)- 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-, (1S)- 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-, (S)- Coclaurin Machiline; Alle anzeigen

1.6 Inchi: InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1

2. Eigenschaften

3. SDB-Informationen

no data available

no data available

4. Computerchemische Daten

Masse moléculaire: 285.343g/mol
Summenformel: C₁₇H₁₉NO₃
Compound Is Canonicalized: True
XLogP3-AA: 2.6
Exact Mass: 285.13649347
Monoisotopic Mass: 285.13649347
Complexity: 330
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 61.7
Heavy Atom Count: 21
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgAQCAAADCzBmAYyBoLABgCAAiBCAACCCAAgIAAIiIAOjIgNJiKGsRuEcCtk0BGLuAew0PMOoAABAAAQQABAAAIAACCAAAAAAAAAAA==

5. Empfohlene Lieferanten

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