Found 10 results

Search term: QUIJNHUBAXPXFS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 6-Bromo-3-[(1R,2S)-4-(dimethylammonio)-2-hydroxy-2-(1-naphthyl)-1-phenylbutyl]-2-methoxyquinolinium | C32H33BrN2O2

6-Bromo-3-[(1R,2S)-4-(dimethylammonio)-2-hydroxy-2-(1-naphthyl)-1-phenylbutyl]-2-methoxyquinolinium

  • Molecular FormulaC32H33BrN2O2
  • Average mass557.519 Da
  • Monoisotopic mass556.171448 Da
  • ChemSpider ID28639102
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, conjugate diacid, (αS,βR)- [ACD/Index Name]
6-Brom-3-[(1R,2S)-4-(dimethylammonio)-2-hydroxy-2-(1-naphthyl)-1-phenylbutyl]-2-methoxychinolinium [German] [ACD/IUPAC Name]
6-Bromo-3-[(1R,2S)-4-(dimethylammonio)-2-hydroxy-2-(1-naphthyl)-1-phenylbutyl]-2-methoxyquinolinium [ACD/IUPAC Name]
6-Bromo-3-[(1R,2S)-4-(diméthylammonio)-2-hydroxy-2-(1-naphtyl)-1-phénylbutyl]-2-méthoxyquinoléinium [French] [ACD/IUPAC Name]
bedaquiline(2+)
  • Miscellaneous

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

Density:
Boiling Point: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 111.89
ACD/KOC (pH 5.5): 149.16
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 2793.35
ACD/KOC (pH 7.4): 3723.64
Polar Surface Area: 48 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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