ChemSpider 2D Image | (1R)-7-Hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium | C19H24NO4

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

  • Molecular FormulaC19H24NO4
  • Average mass330.398 Da
  • Monoisotopic mass330.169983 Da
  • ChemSpider ID26331049

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-7-Hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisochinolinium [German] [ACD/IUPAC Name]
(1R)-7-Hydroxy-1-(3-hydroxy-4-méthoxybenzyl)-6-méthoxy-2-méthyl-1,2,3,4-tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
(1R)-7-Hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium [ACD/IUPAC Name]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-, conjugate acid, (1R)- [ACD/Index Name]
(+)-reticuline
(R)-reticuline
(R)-reticulinium
(R)-reticulinium cation
(R)-reticulinium(1+)

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

Density:
Boiling Point: 504.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 259.2±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 11.30
ACD/KOC (pH 7.4): 131.38
Polar Surface Area: 63 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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