ChemSpider 2D Image | 1-[(1R,2R)-2-(4,8-Dimethoxy-9H-beta-carbolin-1-yl)cyclobutyl]-4-methoxy-7-methyl-9H-beta-carboline | C30H28N4O3

1-[(1R,2R)-2-(4,8-Dimethoxy-9H-β-carbolin-1-yl)cyclobutyl]-4-methoxy-7-methyl-9H-β-carboline

  • Molecular FormulaC30H28N4O3
  • Average mass492.568 Da
  • Monoisotopic mass492.216156 Da
  • ChemSpider ID28287301

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1-[(1R,2R)-2-(4,8-Dimethoxy-9H-β-carbolin-1-yl)cyclobutyl]-4-methoxy-7-methyl-9H-β-carbolin [German] [ACD/IUPAC Name]
1-[(1R,2R)-2-(4,8-Dimethoxy-9H-β-carbolin-1-yl)cyclobutyl]-4-methoxy-7-methyl-9H-β-carboline [ACD/IUPAC Name]
1-[(1R,2R)-2-(4,8-Diméthoxy-9H-β-carbolin-1-yl)cyclobutyl]-4-méthoxy-7-méthyl-9H-β-carboline [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indole, 1-[(1R,2R)-2-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)cyclobutyl]-4-methoxy-7-methyl- [ACD/Index Name]
QUASSIDINE A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 781.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 259.1±23.1 °C
Index of Refraction: 1.744
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 16.55
ACD/KOC (pH 5.5): 28.46
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 4970.26
ACD/KOC (pH 7.4): 8545.90
Polar Surface Area: 85 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 367.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement