ChemSpider 2D Image | (1S)-7-Hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium | C18H22NO4

(1S)-7-Hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium

  • Molecular FormulaC18H22NO4
  • Average mass316.371 Da
  • Monoisotopic mass316.154327 Da
  • ChemSpider ID76963437

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S)-7-Hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisochinolinium [German] [ACD/IUPAC Name]
(1S)-7-Hydroxy-1-(3-hydroxy-4-méthoxybenzyl)-6-méthoxy-1,2,3,4-tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
(1S)-7-Hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium [ACD/IUPAC Name]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-, conjugate acid, (1S)- [ACD/Index Name]
(S)-Norreticuline
(S)-norreticuline(1+)
11-[(4-hydroxy-3-methoxy-phenyl)methyl]-6-methoxy-1,2,3,4- tetrahydroisoquinolin-7-ol
Nororientaline

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 519.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 268.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.62
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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