ChemSpider 2D Image | (+)-spiroreticulatine | C15H15N3O4

(+)-spiroreticulatine

  • Molecular FormulaC15H15N3O4
  • Average mass301.297 Da
  • Monoisotopic mass301.106262 Da
  • ChemSpider ID35000197

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-spiroreticulatine
(4R)-4'-Methoxy-1,3-dimethyl-2,5-dioxo-1'H-spiro[imidazolidine-4,2'-quinoline]-1'-carbaldehyd [German] [ACD/IUPAC Name]
(4R)-4'-Methoxy-1,3-dimethyl-2,5-dioxo-1'H-spiro[imidazolidine-4,2'-quinoline]-1'-carbaldehyde [ACD/IUPAC Name]
(4R)-4'-Méthoxy-1,3-diméthyl-2,5-dioxo-1'H-spiro[imidazolidine-4,2'-quinoline]-1'-carbaldéhyde [French] [ACD/IUPAC Name]
Spiro[imidazolidine-4,2'(1'H)-quinoline]-1'-carboxaldehyde, 4'-methoxy-1,3-dimethyl-2,5-dioxo-, (4R)- [ACD/Index Name]
spiroreticulatine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 508.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.3±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.11
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 69.11
Polar Surface Area: 70 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 210.1±5.0 cm3

Click to predict properties on the Chemicalize site


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