ChemSpider 2D Image | Neferine | C38H44N2O6

Neferine

  • Molecular FormulaC38H44N2O6
  • Average mass624.766 Da
  • Monoisotopic mass624.319946 Da
  • ChemSpider ID140375
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2292-16-2 [RN]
4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}-2-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}phenol [German] [ACD/IUPAC Name]
4-{[(1R)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}-2-{[(1R)-6-méthoxy-1-(4-méthoxybenzyl)-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}phénol [French] [ACD/IUPAC Name]
4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol [ACD/IUPAC Name]
4-{[(1r)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-{[(1r)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}phenol
Neferine
Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]- [ACD/Index Name]
[2292-16-2]
1805824-41-2 [RN]
4-(((1r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl)methyl)-2-(((1r)-6-methoxy-1-((4-methoxyphenyl)methyl)-2-methyl-3,4-dihydro-1h-isoquinolin-7-yl)oxy)phenol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1523459 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 710.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 180.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 847.53
ACD/KOC (pH 7.4): 2145.95
Polar Surface Area: 73 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 526.8±3.0 cm3

Click to predict properties on the Chemicalize site






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